Vitas-M small molecule compound
methyl (2Z)-{5-amino-6-cyano-8-[(3,4-dimethylphenyl)carbamoyl]-7-(3-methoxyphenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2(3H)-ylidene}ethanoate
Catalog ID
STL485346
SMILES COC(=O)/C=c/1\sc2=C(C(=O)Nc3ccc(c(c3)C)C)C(C(=C(n2c1=O)N)C#N)c1cccc(c1)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 C27H24N4O5S MW 516.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O5S/c1-14-8-9-17(10-15(14)2)30-25(33)23-22(16-6-5-7-18(11-16)35-3)19(13-28)24(29)31-26(34)20(37-27(23)31)12-21(32)36-4/h5-12,22H,29H2,1-4H3,(H,30,33)/b20-12-InChIKey
HYGKRFYMJGGKGA-NDENLUEZSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)C2=C3N(C(=C(C2C4=CC(=CC=C4)OC)C#N)N)C(=O)C(=CC(=O)OC)S3)C
COC(=O)C=c1sc2=C(C(=O)Nc3ccc(c(c3)C)C)C(C(=C(n2c1=O)N)C#N)c1cccc(c1)OC
InChI=1SC27H24N4O5Sc1148917(1015(14)2)3025(33)2322(1665718(1116)353)19(1328)24(29)3126(34)20(3727(23)31)1221(32)364h51222H29H214H3(H3033)b2012
methyl(2Z)(5amino6cyano8((34dimethylphenyl)carbamoyl)7(3methoxyphenyl)3oxo7H(13)thiazolo(32a)pyridin2(3H)ylidene)ethanoate
METHYL(2Z)2(5AMINO6CYANO8((34DIMETHYLPHENYL)CARBAMOYL)7(3METHOXYPHENYL)3OXO7H(13)THIAZOLO(32A)PYRIDIN2YLIDENE)ACETATE
MFCD08273210
ZINC000003769992
ZINC000003769994
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