Vitas-M small molecule compound

N-{(1Z)-3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-3-oxo-1-[4-(propan-2-yloxy)phenyl]prop-1-en-2-yl}-4-methoxybenzamide

Catalog ID
STK598815
SMILES COc1ccc(cc1)C(=O)N/C(=C\c1ccc(cc1)OC(C)C)/C(=O)NCCc1nc2c([nH]1)cccc2

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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 C29H30N4O4 MW 498.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O4/c1-19(2)37-23-12-8-20(9-13-23)18-26(33-28(34)21-10-14-22(36-3)15-11-21)29(35)30-17-16-27-31-24-6-4-5-7-25(24)32-27/h4-15,18-19H,16-17H2,1-3H3,(H,30,35)(H,31,32)(H,33,34)/b26-18-
InChIKey
RXYZZNCWBNTUBC-ITYLOYPMSA-N
Synonyms
846598-79-6
(Z)N(3((2(1Hbenzo(d)imidazol2yl)ethyl)amino)1(4isopropoxyphenyl)3oxoprop1en2yl)4methoxybenzamide
846598796
CC(C)OC1=CC=C(C=C1)C=C(C(=O)NCCC2=NC3=CC=CC=C3N2)NC(=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)C(=O)NC(=Cc1ccc(cc1)OC(C)C)C(=O)NCCc1nc2c((nH)1)cccc2
InChI=1SC29H30N4O4c119(2)372312820(91323)1826(3328(34)21101422(363)151121)29(35)301716273124645725(24)3227h4151819H1617H213H3(H3035)(H3132)(H3334)b2618
MFCD04176933
N((1Z)3((2(1Hbenzimidazol2yl)ethyl)amino)3oxo1(4(propan2yloxy)phenyl)prop1en2yl)4methoxybenzamide
N((Z)3(2(1HBENZIMIDAZOL2YL)ETHYLAMINO)3OXO1(4PROPAN2YLOXYPHENYL)PROP1EN2YL)4METHOXYBENZAMIDE
ZINC000009282536
ZINC09282536
ZINC9282536

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Available files

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