Vitas-M small molecule compound
ethyl 4-(3-{(1E)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-diphenyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK185180
SMILES CCOc1cccc(c1)NC(=O)/C(=C/c1cc(n(c1c1ccccc1)c1ccc(cc1)C(=O)OCC)c1ccccc1)/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 C37H31N3O4 MW 581.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H31N3O4/c1-3-43-33-17-11-16-31(24-33)39-36(41)30(25-38)22-29-23-34(26-12-7-5-8-13-26)40(35(29)27-14-9-6-10-15-27)32-20-18-28(19-21-32)37(42)44-4-2/h5-24H,3-4H2,1-2H3,(H,39,41)/b30-22+InChIKey
YWDYZAGBGFFCCS-JBASAIQMSA-NSynonyms
CCOC1=CC=CC(=C1)NC(=O)C(=CC2=C(N(C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OCC)C5=CC=CC=C5)C#N
CCOc1cccc(c1)NC(=O)C(=Cc1cc(n(c1c1ccccc1)c1ccc(cc1)C(=O)OCC)c1ccccc1)C#N
ETHYL4(3((1E)2CYANO3((3ETHOXYPHENYL)AMINO)3OXOPROP1EN1YL)25DIPHENYL1HPYRROL1YL)BENZOATE
ETHYL4(3((E)2CYANO3(3ETHOXYANILINO)3OXOPROP1ENYL)25DIPHENYLPYRROL1YL)BENZOATE
InChI=1SC37H31N3O4c13433317111631(2433)3936(41)30(2538)22292334(26127581326)40(35(29)271496101527)32201828(192132)37(42)4442h524H34H212H3(H3941)b3022+
MFCD01824102
ZINC000004047899
ZINC4047899
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