Vitas-M small molecule compound
(2Z)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STK201515
SMILES N#C/C(=C/c1cc(n(c1C)c1ccc2c(c1)OCO2)C)/c1nc2c([nH]1)ccc(c2)C
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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 C24H20N4O2 MW 396.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O2/c1-14-4-6-20-21(8-14)27-24(26-20)18(12-25)10-17-9-15(2)28(16(17)3)19-5-7-22-23(11-19)30-13-29-22/h4-11H,13H2,1-3H3,(H,26,27)/b18-10-InChIKey
RLZABVZPMZONHV-ZDLGFXPLSA-NSynonyms
(2Z)3(1(13BENZODIOXOL5YL)25DIMETHYL1HPYRROL3YL)2(5METHYL1HBENZIMIDAZOL2YL)PROP2ENENITRILE
(Z)3(1(13BENZODIOXOL5YL)25DIMETHYLPYRROL3YL)2(6METHYL1HBENZIMIDAZOL2YL)PROP2ENENITRILE
CC1=CC2=C(C=C1)N=C(N2)C(=CC3=C(N(C(=C3)C)C4=CC5=C(C=C4)OCO5)C)C#N
InChI=1SC24H20N4O2c114462021(814)2724(2620)18(1225)1017915(2)28(16(17)3)19572223(1119)30132922h411H13H213H3(H2627)b1810
MFCD05997588
N#CC(=Cc1cc(n(c1C)c1ccc2c(c1)OCO2)C)c1nc2c((nH)1)ccc(c2)C
ZINC000004739786
ZINC04739786
ZINC4739786
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