Vitas-M small molecule compound
methyl (3-{(1E)-2-cyano-3-[(4-methoxybenzyl)amino]-3-oxoprop-1-en-1-yl}-1H-indol-1-yl)acetate
Catalog ID
STK182682
SMILES COC(=O)Cn1cc(c2c1cccc2)/C=C(/C(=O)NCc1ccc(cc1)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 C23H21N3O4 MW 403.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O4/c1-29-19-9-7-16(8-10-19)13-25-23(28)17(12-24)11-18-14-26(15-22(27)30-2)21-6-4-3-5-20(18)21/h3-11,14H,13,15H2,1-2H3,(H,25,28)/b17-11+InChIKey
PICCSZSBCQPFMJ-GZTJUZNOSA-NSynonyms
COC(=O)Cn1cc(c2c1cccc2)C=C(C(=O)NCc1ccc(cc1)OC)C#N
COC1=CC=C(C=C1)CNC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)OC)C#N
InChI=1SC23H21N3O4c129199716(81019)132523(28)17(1224)11181426(1522(27)302)21643520(18)21h31114H1315H212H3(H2528)b1711+
METHYL(3((1E)2CYANO3((4METHOXYBENZYL)AMINO)3OXOPROP1EN1YL)1HINDOL1YL)ACETATE
METHYL2(3((E)2CYANO3((4METHOXYPHENYL)METHYLAMINO)3OXOPROP1ENYL)INDOL1YL)ACETATE
MFCD03226559
ZINC000004710693
ZINC04710693
ZINC4710693
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