Vitas-M small molecule compound
N-[(1E)-1-(1,3-benzodioxol-5-yl)-3-{[2-({(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}amino)ethyl]amino}-3-oxoprop-1-en-2-yl]benzamide
Catalog ID
STK672904
SMILES O=C(/C(=C/c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)NCCNC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1
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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 C36H30N4O8 MW 646.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H30N4O8/c41-33(25-7-3-1-4-8-25)39-27(17-23-11-13-29-31(19-23)47-21-45-29)35(43)37-15-16-38-36(44)28(40-34(42)26-9-5-2-6-10-26)18-24-12-14-30-32(20-24)48-22-46-30/h1-14,17-20H,15-16,21-22H2,(H,37,43)(H,38,44)(H,39,41)(H,40,42)/b27-17-,28-18+InChIKey
UKZDILQBRQEGCV-HJVIKEODSA-NSynonyms
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NCCNC(=O)C(=CC3=CC4=C(C=C3)OCO4)NC(=O)C5=CC=CC=C5)NC(=O)C6=CC=CC=C6
InChI=1SC36H30N4O8c4133(257314825)3927(172311132931(1923)47214529)35(43)3715163836(44)28(4034(42)2695261026)182412143032(2024)48224630h1141720H15162122H2(H3743)(H3844)(H3941)(H4042)b27172818+
MFCD00826768
N((1E)1(13benzodioxol5yl)3((2(((2Z)3(13benzodioxol5yl)2((phenylcarbonyl)amino)prop2enoyl)amino)ethyl)amino)3oxoprop1en2yl)benzamide
N((E)3((2((Z)2benzamido3(benzo(d)(13)dioxol5yl)acrylamido)ethyl)amino)1(benzo(d)(13)dioxol5yl)3oxoprop1en2yl)benzamide
N((Z)3(2(((E)2BENZAMIDO3(13BENZODIOXOL5YL)PROP2ENOYL)AMINO)ETHYLAMINO)1(13BENZODIOXOL5YL)3OXOPROP1EN2YL)BENZAMIDE
O=C(C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)NCCNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1
ZINC000097965922
ZINC97965922
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