Vitas-M small molecule compound
ethyl 4-(3-{(1E)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-diphenyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK182505
SMILES CCOC(=O)c1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)/C=C(/C(=O)Nc1ccccc1C)\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 C36H29N3O3 MW 551.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H29N3O3/c1-3-42-36(41)28-18-20-31(21-19-28)39-33(26-13-6-4-7-14-26)23-29(34(39)27-15-8-5-9-16-27)22-30(24-37)35(40)38-32-17-11-10-12-25(32)2/h4-23H,3H2,1-2H3,(H,38,40)/b30-22+InChIKey
UCIKVMXUHZLZTH-JBASAIQMSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)C=C(C#N)C(=O)NC4=CC=CC=C4C)C5=CC=CC=C5
CCOC(=O)c1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)C=C(C(=O)Nc1ccccc1C)C#N
ETHYL4(3((1E)2CYANO3((2METHYLPHENYL)AMINO)3OXOPROP1EN1YL)25DIPHENYL1HPYRROL1YL)BENZOATE
ethyl4(3((E)2cyano3(2methylanilino)3oxoprop1enyl)25diphenylpyrrol1yl)benzoate
InChI=1SC36H29N3O3c134236(41)28182031(211928)3933(26136471426)2329(34(39)27158591627)2230(2437)35(40)38321711101225(32)2h423H3H212H3(H3840)b3022+
MFCD02193605
ZINC000097960723
ZINC97960723
Check stock
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