Vitas-M small molecule compound
(2Z)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}prop-2-enamide
Catalog ID
STL006365
SMILES COc1ccc(cc1)/C=C/C(=O)N/C(=C\c1ccc2c(c1)OCO2)/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 C29H26N4O5 MW 510.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O5/c1-36-21-10-6-19(7-11-21)9-13-28(34)33-24(16-20-8-12-25-26(17-20)38-18-37-25)29(35)30-15-14-27-31-22-4-2-3-5-23(22)32-27/h2-13,16-17H,14-15,18H2,1H3,(H,30,35)(H,31,32)(H,33,34)/b13-9+,24-16-InChIKey
ZAEXQTISWMBRJN-PZZIGIJCSA-NSynonyms
845985-99-1(2Z)N(2(1Hbenzimidazol2yl)ethyl)3(13benzodioxol5yl)2(((2E)3(4methoxyphenyl)prop2enoyl)amino)prop2enamide
(Z)N(2(1HBENZIMIDAZOL2YL)ETHYL)3(13BENZODIOXOL5YL)2(((E)3(4METHOXYPHENYL)PROP2ENOYL)AMINO)PROP2ENAMIDE
(Z)N(2(1Hbenzo(d)imidazol2yl)ethyl)3(benzo(d)(13)dioxol5yl)2((E)3(4methoxyphenyl)acrylamido)acrylamide
845985991
COC1=CC=C(C=C1)C=CC(=O)NC(=CC2=CC3=C(C=C2)OCO3)C(=O)NCCC4=NC5=CC=CC=C5N4
COc1ccc(cc1)C=CC(=O)NC(=Cc1ccc2c(c1)OCO2)C(=O)NCCc1nc2c((nH)1)cccc2
InChI=1SC29H26N4O5c1362110619(71121)91328(34)3324(16208122526(1720)38183725)29(35)301514273122423523(22)3227h2131617H141518H21H3(H3035)(H3132)(H3334)b139+2416
MFCD04171400
ZINC000009282092
ZINC09282092
ZINC9282092
Check stock
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