Vitas-M small molecule compound
methyl 4-{3-[(Z)-2-cyano-2-(5-methoxy-1H-benzimidazol-2-yl)ethenyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoate
Catalog ID
STK201573
SMILES COc1ccc2c(c1)nc([nH]2)/C(=C\c1cc(n(c1C)c1ccc(cc1C)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 C26H24N4O3 MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O3/c1-15-10-18(26(31)33-5)6-9-24(15)30-16(2)11-19(17(30)3)12-20(14-27)25-28-22-8-7-21(32-4)13-23(22)29-25/h6-13H,1-5H3,(H,28,29)/b20-12-InChIKey
RCEUHNKEGSVIKV-NDENLUEZSA-NSynonyms
CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)OC)C)C)C=C(C#N)C3=NC4=C(N3)C=C(C=C4)OC
COc1ccc2c(c1)nc((nH)2)C(=Cc1cc(n(c1C)c1ccc(cc1C)C(=O)OC)C)C#N
InChI=1SC26H24N4O3c1151018(26(31)335)6924(15)3016(2)1119(17(30)3)1220(1427)2528228721(324)1323(22)2925h613H15H3(H2829)b2012
METHYL4(3((Z)2CYANO2(5METHOXY1HBENZIMIDAZOL2YL)ETHENYL)25DIMETHYL1HPYRROL1YL)3METHYLBENZOATE
METHYL4(3((Z)2CYANO2(6METHOXY1HBENZIMIDAZOL2YL)ETHENYL)25DIMETHYLPYRROL1YL)3METHYLBENZOATE
MFCD06626215
ZINC000012393065
ZINC12393065
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