Vitas-M small molecule compound
N-[(5-bromo-4H-1,2,4-triazol-3-yl)methyl]-2-[(2R,6'R)-7-chloro-4,6-dimethoxy-2'-(4-methoxyphenyl)-6'-methyl-3,4'-dioxo-6',7'-dihydro-3H,4'H-2,5'-spirobi[[1]benzofuran]-3'-yl]acetamide
Catalog ID
STL561627
SMILES COc1ccc(cc1)c1oc2c(c1CC(=O)NCc1nnc([nH]1)Br)C(=O)[C@]1([C@@H](C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
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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 C30H26BrClN4O8 MW 685.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26BrClN4O8/c1-13-9-18-22(27(38)30(13)28(39)23-17(41-3)11-19(42-4)24(32)26(23)44-30)16(10-21(37)33-12-20-34-29(31)36-35-20)25(43-18)14-5-7-15(40-2)8-6-14/h5-8,11,13H,9-10,12H2,1-4H3,(H,33,37)(H,34,35,36)/t13-,30+/m1/s1InChIKey
JACYGDFQHXWDIP-OSXTUODASA-NSynonyms
145704984
COc1ccc(cc1)c1oc2c(c1CC(=O)NCc1(nH)nc(n1)Br)C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
InChI=1SC30H26BrClN4O8c11391822(27(38)30(13)28(39)2317(413)1119(424)24(32)26(23)4430)16(1021(37)3312203429(31)363520)25(4318)145715(402)8614h581113H91012H214H3(H3337)(H343536)t1330+m1s1
MFCD32650692
N((3bromo1H124triazol5yl)methyl)2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)acetamide
N((3bromo1H124triazol5yl)methyl)2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)acetamide
N((5bromo4H124triazol3yl)methyl)2((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)acetamide
ZINC001848442778
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