Vitas-M small molecule compound
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)amino]ethyl}-3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
Catalog ID
STL561492
SMILES COc1cc(cc(c1OC)OC)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCNc1nc(nn1C)Br
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C33H37BrClN5O10 MW 779.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H37BrClN5O10/c1-15-10-18(41)24(29(43)33(15)30(44)25-19(45-3)14-20(46-4)26(35)28(25)50-33)17(16-11-21(47-5)27(49-7)22(12-16)48-6)13-23(42)36-8-9-37-32-38-31(34)39-40(32)2/h11-12,14-15,17,43H,8-10,13H2,1-7H3,(H,36,42)(H,37,38,39)/t15-,17?,33+/m1InChIKey
ZTUVRPYJRPGVPM-GKEYDMBISA-NSynonyms
145704850
COc1cc(cc(c1OC)OC)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCNc1nc(nn1C)Br
InChI=1SC33H37BrClN5O10c1151018(41)24(29(43)33(15)30(44)2519(453)1420(464)26(35)28(25)5033)17(161121(475)27(497)22(1216)486)1323(42)368937323831(34)3940(32)2h111214151743H81013H217H3(H3642)(H373839)t1517?33+m1s1
MFCD32650558
N(2((3bromo1methyl1H124triazol5yl)amino)ethyl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(345trimethoxyphenyl)propanamide
N(2((3BROMO1METHYL1H124TRIAZOL5YL)AMINO)ETHYL)3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(345TRIMETHOXYPHENYL
N(2((3bromo1methyl1H124triazol5yl)amino)ethyl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(345trimethoxyphenyl)propanamide
N(2((5bromo2methyl124triazol3yl)amino)ethyl)3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(345trimethoxyphenyl)propanamide
ZINC001848443231
ZINC001848443232
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