Vitas-M small molecule compound
ethyl 3-{3-[(1E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Catalog ID
STK180993
SMILES CCOC(=O)c1cccc(c1)n1c(C)cc(c1C)/C=C(/C(=O)NC1CCCCC1)\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 C25H29N3O3 MW 419.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O3/c1-4-31-25(30)19-9-8-12-23(15-19)28-17(2)13-20(18(28)3)14-21(16-26)24(29)27-22-10-6-5-7-11-22/h8-9,12-15,22H,4-7,10-11H2,1-3H3,(H,27,29)/b21-14+InChIKey
USKXTXAUSNISOP-KGENOOAVSA-NSynonyms
CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)NC3CCCCC3)C
CCOC(=O)c1cccc(c1)n1c(C)cc(c1C)C=C(C(=O)NC1CCCCC1)C#N
ETHYL3(3((1E)2CYANO2(NCYCLOHEXYLCARBAMOYL)VINYL)25DIMETHYLPYRROLYL)BENZOATE
ETHYL3(3((1E)2CYANO3(CYCLOHEXYLAMINO)3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOATE
ETHYL3(3((E)2CYANO3(CYCLOHEXYLAMINO)3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)BENZOATE
InChI=1SC25H29N3O3c143125(30)19981223(1519)2817(2)1320(18(28)3)1421(1626)24(29)2722106571122h89121522H471011H213H3(H2729)b2114+
MFCD03274373
ZINC000004107017
ZINC04107017
ZINC4107017
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