Vitas-M small molecule compound

(2E)-2-(1H-benzimidazol-2-yl)-3-[4-({4-[(2-bromo-4-methylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}oxy)-3-methoxyphenyl]prop-2-enenitrile

Catalog ID
STK673952
SMILES COc1cc(ccc1Oc1nc(nc(n1)N1CCOCC1)Nc1ccc(cc1Br)C)/C=C(/c1nc2c([nH]1)cccc2)\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 C31H27BrN8O3 MW 639.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27BrN8O3/c1-19-7-9-23(22(32)15-19)36-29-37-30(40-11-13-42-14-12-40)39-31(38-29)43-26-10-8-20(17-27(26)41-2)16-21(18-33)28-34-24-5-3-4-6-25(24)35-28/h3-10,15-17H,11-14H2,1-2H3,(H,34,35)(H,36,37,38,39)/b21-16+
InChIKey
HTNJQTIZKMOQMH-LTGZKZEYSA-N
Synonyms

(2E)2(1Hbenzimidazol2yl)3(4((4((2bromo4methylphenyl)amino)6(morpholin4yl)135triazin2yl)oxy)3methoxyphenyl)prop2enenitrile
(E)2(1HBENZIMIDAZOL2YL)3(4((4(2BROMO4METHYLANILINO)6MORPHOLIN4YL135TRIAZIN2YL)OXY)3METHOXYPHENYL)PROP2ENENITRILE
CC1=CC(=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)OC4=C(C=C(C=C4)C=C(C#N)C5=NC6=CC=CC=C6N5)OC)Br
COc1cc(ccc1Oc1nc(nc(n1)N1CCOCC1)Nc1ccc(cc1Br)C)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC31H27BrN8O3c1197923(22(32)1519)36293730(40111342141240)3931(3829)432610820(1727(26)412)1621(1833)283424534625(24)3528h3101517H1114H212H3(H3435)(H36373839)b2116+
MFCD01160793
ZINC000008439253
ZINC08439253
ZINC8439253

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Available files

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