Vitas-M small molecule compound
methyl 2-{[(2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino}-5-propylthiophene-3-carboxylate
Catalog ID
STK434572
SMILES CCCc1cc(c(s1)NC(=O)/C(=C/c1c[nH]c2c1cccc2)/C#N)C(=O)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 C21H19N3O3S MW 393.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O3S/c1-3-6-15-10-17(21(26)27-2)20(28-15)24-19(25)13(11-22)9-14-12-23-18-8-5-4-7-16(14)18/h4-5,7-10,12,23H,3,6H2,1-2H3,(H,24,25)/b13-9+InChIKey
QXIUYKMEMILLKE-UKTHLTGXSA-NSynonyms
CCCC1=CC(=C(S1)NC(=O)C(=CC2=CNC3=CC=CC=C32)C#N)C(=O)OC
CCCc1cc(c(s1)NC(=O)C(=Cc1c(nH)c2c1cccc2)C#N)C(=O)OC
InChI=1SC21H19N3O3Sc136151017(21(26)272)20(2815)2419(25)13(1122)914122318854716(14)18h457101223H36H212H3(H2425)b139+
methyl2(((2E)2cyano3(1Hindol3yl)prop2enoyl)amino)5propylthiophene3carboxylate
METHYL2(((E)2CYANO3(1HINDOL3YL)PROP2ENOYL)AMINO)5PROPYLTHIOPHENE3CARBOXYLATE
METHYL2((2E)2CYANO3INDOL3YLPROP2ENOYLAMINO)5PROPYLTHIOPHENE3CARBOXYLATE
MFCD03942791
ZINC000006636461
ZINC06636461
ZINC6636461
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