Vitas-M small molecule compound
methyl (2Z)-[5-amino-8-(benzylcarbamoyl)-6-cyano-7-(2,4-dimethoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2(3H)-ylidene]ethanoate
Catalog ID
STL485338
SMILES COC(=O)/C=c/1\sc2=C(C(=O)NCc3ccccc3)C(C(=C(n2c1=O)N)C#N)c1ccc(cc1OC)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 C27H24N4O6S MW 532.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O6S/c1-35-16-9-10-17(19(11-16)36-2)22-18(13-28)24(29)31-26(34)20(12-21(32)37-3)38-27(31)23(22)25(33)30-14-15-7-5-4-6-8-15/h4-12,22H,14,29H2,1-3H3,(H,30,33)/b20-12-InChIKey
NZFUQPFAWPPILY-NDENLUEZSA-NSynonyms
COC(=O)C=c1sc2=C(C(=O)NCc3ccccc3)C(C(=C(n2c1=O)N)C#N)c1ccc(cc1OC)OC
COC1=CC(=C(C=C1)C2C(=C(N3C(=C2C(=O)NCC4=CC=CC=C4)SC(=CC(=O)OC)C3=O)N)C#N)OC
InChI=1SC27H24N4O6Sc1351691017(19(1116)362)2218(1328)24(29)3126(34)20(1221(32)373)3827(31)23(22)25(33)3014157546815h41222H1429H213H3(H3033)b2012
methyl(2Z)(5amino8(benzylcarbamoyl)6cyano7(24dimethoxyphenyl)3oxo7H(13)thiazolo(32a)pyridin2(3H)ylidene)ethanoate
METHYL(2Z)2(5AMINO8(BENZYLCARBAMOYL)6CYANO7(24DIMETHOXYPHENYL)3OXO7H(13)THIAZOLO(32A)PYRIDIN2YLIDENE)ACETATE
MFCD08273204
ZINC000003769964
ZINC000003769966
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