Vitas-M small molecule compound
ethyl 2-{[(2E)-2-cyano-3-(9-ethyl-9H-carbazol-3-yl)prop-2-enoyl]amino}-5-(propan-2-yl)thiophene-3-carboxylate
Catalog ID
STK473606
SMILES CCOC(=O)c1cc(sc1NC(=O)/C(=C/c1ccc2c(c1)c1ccccc1n2CC)/C#N)C(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 C28H27N3O3S MW 485.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O3S/c1-5-31-23-10-8-7-9-20(23)21-14-18(11-12-24(21)31)13-19(16-29)26(32)30-27-22(28(33)34-6-2)15-25(35-27)17(3)4/h7-15,17H,5-6H2,1-4H3,(H,30,32)/b19-13+InChIKey
CJAQABLHQBWDPL-CPNJWEJPSA-NSynonyms
CCN1C2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=C(C=C(S3)C(C)C)C(=O)OCC)C4=CC=CC=C41
CCOC(=O)c1cc(sc1NC(=O)C(=Cc1ccc2c(c1)c1ccccc1n2CC)C#N)C(C)C
ethyl2(((2E)2cyano3(9ethyl9Hcarbazol3yl)prop2enoyl)amino)5(propan2yl)thiophene3carboxylate
ethyl2(((E)2cyano3(9ethylcarbazol3yl)prop2enoyl)amino)5propan2ylthiophene3carboxylate
InChI=1SC28H27N3O3Sc1531231087920(23)211418(111224(21)31)1319(1629)26(32)302722(28(33)3462)1525(3527)17(3)4h71517H56H214H3(H3032)b1913+
MFCD07078486
ZINC000020215154
ZINC20215154
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