Vitas-M small molecule compound
methyl 2-({(2E)-2-cyano-3-[2-(propan-2-yloxy)phenyl]prop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK949543
SMILES N#C/C(=C\c1ccccc1OC(C)C)/C(=O)Nc1sc(c(c1C(=O)OC)C)C
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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 C21H22N2O4S MW 398.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S/c1-12(2)27-17-9-7-6-8-15(17)10-16(11-22)19(24)23-20-18(21(25)26-5)13(3)14(4)28-20/h6-10,12H,1-5H3,(H,23,24)/b16-10+InChIKey
DLZHUTJMVDSVKS-MHWRWJLKSA-NSynonyms
380551-58-6380551586
CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=CC=CC=C2OC(C)C)C#N)C
InChI=1SC21H22N2O4Sc112(2)2717976815(17)1016(1122)19(24)232018(21(25)265)13(3)14(4)2820h61012H15H3(H2324)b1610+
methyl2(((2E)2cyano3(2(propan2yloxy)phenyl)prop2enoyl)amino)45dimethylthiophene3carboxylate
METHYL2(((E)2CYANO3(2PROPAN2YLOXYPHENYL)PROP2ENOYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
METHYL2((2E)2CYANO3(2(METHYLETHOXY)PHENYL)PROP2ENOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
MFCD02957110
N#CC(=Cc1ccccc1OC(C)C)C(=O)Nc1sc(c(c1C(=O)OC)C)C
ZINC000002669851
ZINC02669851
ZINC2669851
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