Vitas-M small molecule compound
methyl 3-(3-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK186434
SMILES COc1ccc(cc1)NC(=O)/C(=C\c1cc(n(c1C)c1cccc(c1)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 C25H23N3O4 MW 429.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4/c1-16-12-19(17(2)28(16)22-7-5-6-18(14-22)25(30)32-4)13-20(15-26)24(29)27-21-8-10-23(31-3)11-9-21/h5-14H,1-4H3,(H,27,29)/b20-13-InChIKey
MJIOORIFXQYTKA-MOSHPQCFSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)C=C(C#N)C(=O)NC3=CC=C(C=C3)OC
COc1ccc(cc1)NC(=O)C(=Cc1cc(n(c1C)c1cccc(c1)C(=O)OC)C)C#N
InChI=1SC25H23N3O4c1161219(17(2)28(16)2275618(1422)25(30)324)1320(1526)24(29)272181023(313)11921h514H14H3(H2729)b2013
METHYL3(3((1Z)2CYANO2(N(4METHOXYPHENYL)CARBAMOYL)VINYL)25DIMETHYLPYRROLYL)BENZOATE
METHYL3(3((1Z)2CYANO3((4METHOXYPHENYL)AMINO)3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOATE
METHYL3(3((Z)2CYANO3(4METHOXYANILINO)3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)BENZOATE
MFCD02378976
ZINC000001189853
ZINC01189853
ZINC1189853
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Check stock on Vitas-MAvailable files
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