Vitas-M small molecule compound
methyl 2-(3-{(1E)-2-cyano-3-[(3-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK179099
SMILES COc1cccc(c1)NC(=O)/C(=C/c1cc(n(c1C)c1ccccc1C(=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 C25H23N3O4 MW 429.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4/c1-16-12-18(17(2)28(16)23-11-6-5-10-22(23)25(30)32-4)13-19(15-26)24(29)27-20-8-7-9-21(14-20)31-3/h5-14H,1-4H3,(H,27,29)/b19-13+InChIKey
KSDOGTZUAXQCJD-CPNJWEJPSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)C)C=C(C#N)C(=O)NC3=CC(=CC=C3)OC
COc1cccc(c1)NC(=O)C(=Cc1cc(n(c1C)c1ccccc1C(=O)OC)C)C#N
InChI=1SC25H23N3O4c1161218(17(2)28(16)2311651022(23)25(30)324)1319(1526)24(29)272087921(1420)313h514H14H3(H2729)b1913+
METHYL2(3((1E)2CYANO2(N(3METHOXYPHENYL)CARBAMOYL)VINYL)25DIMETHYLPYRROLYL)BENZOATE
METHYL2(3((1E)2CYANO3((3METHOXYPHENYL)AMINO)3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOATE
METHYL2(3((E)2CYANO3(3METHOXYANILINO)3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)BENZOATE
MFCD03834883
ZINC000004090758
ZINC04090758
ZINC4090758
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