Vitas-M small molecule compound
(2E)-2-cyano-3-[1-(3-methoxybenzyl)-1H-indol-3-yl]-N-(2,4,6-trimethylphenyl)prop-2-enamide
Catalog ID
STK472801
SMILES N#C/C(=C\c1cn(c2c1cccc2)Cc1cccc(c1)OC)/C(=O)Nc1c(C)cc(cc1C)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 C29H27N3O2 MW 449.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O2/c1-19-12-20(2)28(21(3)13-19)31-29(33)23(16-30)15-24-18-32(27-11-6-5-10-26(24)27)17-22-8-7-9-25(14-22)34-4/h5-15,18H,17H2,1-4H3,(H,31,33)/b23-15+InChIKey
QCKUQVZZKJKDCB-HZHRSRAPSA-NSynonyms
(2E)2CYANO3(1((3METHOXYPHENYL)METHYL)INDOL3YL)N(246TRIMETHYLPHENYL)PROP2ENAMIDE
(2E)2cyano3(1(3methoxybenzyl)1Hindol3yl)N(246trimethylphenyl)prop2enamide
(E)2cyano3(1((3methoxyphenyl)methyl)indol3yl)N(246trimethylphenyl)prop2enamide
CC1=CC(=C(C(=C1)C)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)OC)C#N)C
InChI=1SC29H27N3O2c1191220(2)28(21(3)1319)3129(33)23(1630)15241832(2711651026(24)27)172287925(1422)344h51518H17H214H3(H3133)b2315+
MFCD07092479
N#CC(=Cc1cn(c2c1cccc2)Cc1cccc(c1)OC)C(=O)Nc1c(C)cc(cc1C)C
ZINC000020344402
ZINC20344402
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