Vitas-M small molecule compound

N-[(1Z)-3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide

Catalog ID
STL006523
SMILES CC(COc1ccc(cc1)C(=O)N/C(=C\c1ccc2c(c1)OCO2)/C(=O)NCCc1nc2c([nH]1)cccc2)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 C30H30N4O5 MW 526.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N4O5/c1-19(2)17-37-22-10-8-21(9-11-22)29(35)34-25(15-20-7-12-26-27(16-20)39-18-38-26)30(36)31-14-13-28-32-23-5-3-4-6-24(23)33-28/h3-12,15-16,19H,13-14,17-18H2,1-2H3,(H,31,36)(H,32,33)(H,34,35)/b25-15-
InChIKey
KVUKLVSLEQCJDW-MYYYXRDXSA-N
Synonyms
846579-29-1
(Z)N(3((2(1Hbenzo(d)imidazol2yl)ethyl)amino)1(benzo(d)(13)dioxol5yl)3oxoprop1en2yl)4isobutoxybenzamide
846579291
CC(C)COC1=CC=C(C=C1)C(=O)NC(=CC2=CC3=C(C=C2)OCO3)C(=O)NCCC4=NC5=CC=CC=C5N4
CC(COc1ccc(cc1)C(=O)NC(=Cc1ccc2c(c1)OCO2)C(=O)NCCc1nc2c((nH)1)cccc2)C
InChI=1SC30H30N4O5c119(2)17372210821(91122)29(35)3425(15207122627(1620)39183826)30(36)311413283223534624(23)3328h312151619H13141718H212H3(H3136)(H3233)(H3435)b2515
MFCD04174985
N((1Z)3((2(1Hbenzimidazol2yl)ethyl)amino)1(13benzodioxol5yl)3oxoprop1en2yl)4(2methylpropoxy)benzamide
N((Z)3(2(1HBENZIMIDAZOL2YL)ETHYLAMINO)1(13BENZODIOXOL5YL)3OXOPROP1EN2YL)4(2METHYLPROPOXY)BENZAMIDE
ZINC000009282440
ZINC09282440
ZINC9282440

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Available files

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