Vitas-M small molecule compound
methyl 3-{(1E)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-1H-indole-4-carboxylate
Catalog ID
STL161337
SMILES COc1ccc(cc1)NC(=O)/C(=C/c1c[nH]c2c1c(ccc2)C(=O)OC)/C#N
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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 C21H17N3O4 MW 375.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4/c1-27-16-8-6-15(7-9-16)24-20(25)13(11-22)10-14-12-23-18-5-3-4-17(19(14)18)21(26)28-2/h3-10,12,23H,1-2H3,(H,24,25)/b13-10+InChIKey
QEIMORNAZSWJIS-JLHYYAGUSA-NSynonyms
1282458-66-5(E)methyl3(2cyano3((4methoxyphenyl)amino)3oxoprop1en1yl)1Hindole4carboxylate
1282458665
COC1=CC=C(C=C1)NC(=O)C(=CC2=CNC3=CC=CC(=C32)C(=O)OC)C#N
COc1ccc(cc1)NC(=O)C(=Cc1c(nH)c2c1c(ccc2)C(=O)OC)C#N
InChI=1SC21H17N3O4c127168615(7916)2420(25)13(1122)101412231853417(19(14)18)21(26)282h3101223H12H3(H2425)b1310+
methyl3((1E)2cyano3((4methoxyphenyl)amino)3oxoprop1en1yl)1Hindole4carboxylate
methyl3((E)2cyano3(4methoxyanilino)3oxoprop1enyl)1Hindole4carboxylate
MFCD18799020
ZINC000061720517
ZINC61720517
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