Vitas-M small molecule compound

(2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide

Catalog ID
STK591228
SMILES COc1ccc(cc1)/C=C(/C(=O)NCCc1nc2c([nH]1)cccc2)\NC(=O)/C=C/c1ccc(cc1)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 C29H28N4O4 MW 496.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O4/c1-36-22-12-7-20(8-13-22)11-16-28(34)33-26(19-21-9-14-23(37-2)15-10-21)29(35)30-18-17-27-31-24-5-3-4-6-25(24)32-27/h3-16,19H,17-18H2,1-2H3,(H,30,35)(H,31,32)(H,33,34)/b16-11+,26-19-
InChIKey
DBCAELDTEWBUNN-CYAKTOPKSA-N
Synonyms
845669-40-1
(2Z)N(2(1Hbenzimidazol2yl)ethyl)3(4methoxyphenyl)2(((2E)3(4methoxyphenyl)prop2enoyl)amino)prop2enamide
(Z)N(2(1HBENZIMIDAZOL2YL)ETHYL)3(4METHOXYPHENYL)2(((E)3(4METHOXYPHENYL)PROP2ENOYL)AMINO)PROP2ENAMIDE
(Z)N(2(1Hbenzo(d)imidazol2yl)ethyl)3(4methoxyphenyl)2((E)3(4methoxyphenyl)acrylamido)acrylamide
845669401
COC1=CC=C(C=C1)C=CC(=O)NC(=CC2=CC=C(C=C2)OC)C(=O)NCCC3=NC4=CC=CC=C4N3
COc1ccc(cc1)C=C(C(=O)NCCc1nc2c((nH)1)cccc2)NC(=O)C=Cc1ccc(cc1)OC
InChI=1SC29H28N4O4c1362212720(81322)111628(34)3326(192191423(372)151021)29(35)301817273124534625(24)3227h31619H1718H212H3(H3035)(H3132)(H3334)b1611+2619
MFCD04169441
ZINC000009281852
ZINC09281852
ZINC9281852

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Available files

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