Vitas-M small molecule compound
methyl (2Z)-[5-amino-6-cyano-7-(2,4-dimethoxyphenyl)-8-[(3,4-dimethylphenyl)carbamoyl]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2(3H)-ylidene]ethanoate
Catalog ID
STL485339
SMILES COC(=O)/C=c/1\sc2=C(C(=O)Nc3ccc(c(c3)C)C)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 C28H26N4O6S MW 546.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O6S/c1-14-6-7-16(10-15(14)2)31-26(34)24-23(18-9-8-17(36-3)11-20(18)37-4)19(13-29)25(30)32-27(35)21(39-28(24)32)12-22(33)38-5/h6-12,23H,30H2,1-5H3,(H,31,34)/b21-12-InChIKey
XAKUNHGDDDEEGM-MTJSOVHGSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)C2=C3N(C(=C(C2C4=C(C=C(C=C4)OC)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)c1ccc(cc1OC)OC
InChI=1SC28H26N4O6Sc1146716(1015(14)2)3126(34)2423(189817(363)1120(18)374)19(1329)25(30)3227(35)21(3928(24)32)1222(33)385h61223H30H215H3(H3134)b2112
methyl(2Z)(5amino6cyano7(24dimethoxyphenyl)8((34dimethylphenyl)carbamoyl)3oxo7H(13)thiazolo(32a)pyridin2(3H)ylidene)ethanoate
METHYL(2Z)2(5AMINO6CYANO7(24DIMETHOXYPHENYL)8((34DIMETHYLPHENYL)CARBAMOYL)3OXO7H(13)THIAZOLO(32A)PYRIDIN2YLIDENE)ACETATE
MFCD08273205
ZINC000003769960
ZINC000003769962
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Check stock on Vitas-MAvailable files
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