Vitas-M small molecule compound
(2Z)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-(5-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STK201875
SMILES N#C/C(=C/c1cc2OCOc2cc1Cl)/c1nc2c([nH]1)ccc(c2)OC
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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 C18H12ClN3O3 MW 353.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClN3O3/c1-23-12-2-3-14-15(6-12)22-18(21-14)11(8-20)4-10-5-16-17(7-13(10)19)25-9-24-16/h2-7H,9H2,1H3,(H,21,22)/b11-4-InChIKey
YIFMNQUAPXTZJK-WCIBSUBMSA-NSynonyms
(2Z)3(6CHLORO13BENZODIOXOL5YL)2(5METHOXY1HBENZIMIDAZOL2YL)PROP2ENENITRILE
(Z)3(6CHLORO13BENZODIOXOL5YL)2(6METHOXY1HBENZIMIDAZOL2YL)PROP2ENENITRILE
COC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC4=C(C=C3Cl)OCO4)C#N
InChI=1SC18H12ClN3O3c12312231415(612)2218(2114)11(820)41051617(713(10)19)2592416h27H9H21H3(H2122)b114
MFCD06001340
N#CC(=Cc1cc2OCOc2cc1Cl)c1nc2c((nH)1)ccc(c2)OC
ZINC000004739920
ZINC04739920
ZINC4739920
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