Vitas-M small molecule compound

(2Z)-3-[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Catalog ID
STK112288
SMILES C#CCOc1c(Br)cc(cc1OC)/C=C(\c1[nH]c2c(n1)ccc(c2)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 C21H16BrN3O2 MW 422.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrN3O2/c1-4-7-27-20-16(22)10-14(11-19(20)26-3)9-15(12-23)21-24-17-6-5-13(2)8-18(17)25-21/h1,5-6,8-11H,7H2,2-3H3,(H,24,25)/b15-9-
InChIKey
KYDSGVUJTGGYPN-DHDCSXOGSA-N
Synonyms

(2Z)3(3BROMO5METHOXY4(PROP2YN1YLOXY)PHENYL)2(6METHYL1HBENZIMIDAZOL2YL)PROP2ENENITRILE
(Z)3(3bromo5methoxy4prop2ynoxyphenyl)2(6methyl1Hbenzimidazol2yl)prop2enenitrile
C#CCOc1c(Br)cc(cc1OC)C=C(c1(nH)c2c(n1)ccc(c2)C)C#N
CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C(=C3)Br)OCC#C)OC)C#N
InChI=1SC21H16BrN3O2c147272016(22)1014(1119(20)263)915(1223)2124176513(2)818(17)2521h156811H7H223H3(H2425)b159
MFCD05149536
ZINC000009763698
ZINC09763698
ZINC9763698

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Available files

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