Vitas-M small molecule compound
methyl 3-(3-{(1E)-2-cyano-3-[(3-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoate
Catalog ID
STK180991
SMILES COc1cccc(c1)NC(=O)/C(=C/c1cc(n(c1C)c1cccc(c1C)C(=O)OC)C)/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 C26H25N3O4 MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4/c1-16-12-19(13-20(15-27)25(30)28-21-8-6-9-22(14-21)32-4)18(3)29(16)24-11-7-10-23(17(24)2)26(31)33-5/h6-14H,1-5H3,(H,28,30)/b20-13+InChIKey
VSZBBTAHOQUKDA-DEDYPNTBSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)C=C(C#N)C(=O)NC3=CC(=CC=C3)OC
COc1cccc(c1)NC(=O)C(=Cc1cc(n(c1C)c1cccc(c1C)C(=O)OC)C)C#N
InChI=1SC26H25N3O4c1161219(1320(1527)25(30)282186922(1421)324)18(3)29(16)241171023(17(24)2)26(31)335h614H15H3(H2830)b2013+
METHYL3(3((1E)2CYANO3((3METHOXYPHENYL)AMINO)3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)2METHYLBENZOATE
methyl3(3((E)2cyano3(3methoxyanilino)3oxoprop1enyl)25dimethylpyrrol1yl)2methylbenzoate
MFCD03729467
ZINC000009259007
ZINC09259007
ZINC9259007
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