Vitas-M small molecule compound
N-[(3-{[(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl]amino}-4-methoxyphenyl)carbonyl]-beta-alanine
Catalog ID
STL550265
SMILES COc1ccc(cc1NC1=CC(=O)[C@]2([C@@H](C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C(=O)NCCC(=O)O
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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 C27H27ClN2O9 MW 558.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN2O9/c1-13-9-15(30-16-10-14(5-6-17(16)36-2)26(35)29-8-7-21(32)33)11-20(31)27(13)25(34)22-18(37-3)12-19(38-4)23(28)24(22)39-27/h5-6,10-13,30H,7-9H2,1-4H3,(H,29,35)(H,32,33)/t13-,27+/m1/s1InChIKey
CUKVISJVGRVTIL-QWVSSGJLSA-NSynonyms
127252990
3((3(((2~(S)5~(R))7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)4methoxybenzoyl)amino)propanoicacid
3(3(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)4methoxybenzamido)propanoicacid
COc1ccc(cc1NC1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C(=O)NCCC(=O)O
InChI=1SC27H27ClN2O9c113915(30161014(5617(16)362)26(35)298721(32)33)1120(31)27(13)25(34)2218(373)1219(384)23(28)24(22)3927h56101330H79H214H3(H2935)(H3233)t1327+m1s1
N((3(((2S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)4methoxyphenyl)carbonyl)betaalanine
ZINC000604404131
ZINC604404131
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