Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-(11-hydroxy-5-oxo-2,3,5,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)prop-2-enamide
Catalog ID
STL539715
SMILES O=C(Nc1ccc2c(c1)C(=O)N1CCCC1C(=N2)O)/C=C/c1ccc2c(c1)OCO2
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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 C22H19N3O5 MW 405.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O5/c26-20(8-4-13-3-7-18-19(10-13)30-12-29-18)23-14-5-6-16-15(11-14)22(28)25-9-1-2-17(25)21(27)24-16/h3-8,10-11,17H,1-2,9,12H2,(H,23,26)(H,24,27)/b8-4+InChIKey
COPFIXYYPOQCBR-XBXARRHUSA-NSynonyms
(~(E))3(13benzodioxol5yl)~(N)(611dioxo6~(a)789tetrahydro5~(H)pyrrolo(21c)(14)benzodiazepin2yl)prop2enamide
(2E)3(13benzodioxol5yl)N(11hydroxy5oxo23511atetrahydro1Hpyrrolo(21c)(14)benzodiazepin7yl)prop2enamide
71754722
InChI=1SC22H19N3O5c2620(8413371819(1013)30122918)2314561615(1114)22(28)2591217(25)21(27)2416h38101117H12912H2(H2326)(H2427)b84+
MFCD31754911
ZINC000085876464
ZINC000085876466
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