Vitas-M small molecule compound

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

Catalog ID
STL006675
SMILES CC(Oc1ccc(cc1)/C=C(/C(=O)NCCc1nc2c([nH]1)cccc2)\NC(=O)/C=C/c1ccccc1)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 C30H30N4O3 MW 494.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N4O3/c1-21(2)37-24-15-12-23(13-16-24)20-27(34-29(35)17-14-22-8-4-3-5-9-22)30(36)31-19-18-28-32-25-10-6-7-11-26(25)33-28/h3-17,20-21H,18-19H2,1-2H3,(H,31,36)(H,32,33)(H,34,35)/b17-14+,27-20-
InChIKey
PBJGGAHHFLSYOS-OLISRFAVSA-N
Synonyms
848744-90-1
(2Z)N(2(1Hbenzimidazol2yl)ethyl)2(((2E)3phenylprop2enoyl)amino)3(4(propan2yloxy)phenyl)prop2enamide
(Z)N(2(1HBENZIMIDAZOL2YL)ETHYL)2(((E)3PHENYLPROP2ENOYL)AMINO)3(4PROPAN2YLOXYPHENYL)PROP2ENAMIDE
(Z)N(2(1Hbenzo(d)imidazol2yl)ethyl)2cinnamamido3(4isopropoxyphenyl)acrylamide
848744901
CC(C)OC1=CC=C(C=C1)C=C(C(=O)NCCC2=NC3=CC=CC=C3N2)NC(=O)C=CC4=CC=CC=C4
CC(Oc1ccc(cc1)C=C(C(=O)NCCc1nc2c((nH)1)cccc2)NC(=O)C=Cc1ccccc1)C
InChI=1SC30H30N4O3c121(2)3724151223(131624)2027(3429(35)1714228435922)30(36)31191828322510671126(25)3328h3172021H1819H212H3(H3136)(H3233)(H3435)b1714+2720
MFCD04195607
ZINC000009210798
ZINC09210798
ZINC9210798

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Available files

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