Vitas-M small molecule compound
(E)-[4-(benzyloxy)-2-methylphenyl]{1-[2-(morpholin-4-ium-4-yl)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL148338
SMILES O=C1C(=O)/C(=C(\c2ccc(cc2C)OCc2ccccc2)/[O-])/C(N1CC[NH+]1CCOCC1)c1cccc(c1)[N+](=O)[O-]
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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 C31H31N3O7 MW 557.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O7/c1-21-18-25(41-20-22-6-3-2-4-7-22)10-11-26(21)29(35)27-28(23-8-5-9-24(19-23)34(38)39)33(31(37)30(27)36)13-12-32-14-16-40-17-15-32/h2-11,18-19,28,35H,12-17,20H2,1H3/b29-27+InChIKey
MBDLTFFHSFKEFT-ORIPQNMZSA-NSynonyms
(4E)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(2METHYL4PHENYLMETHOXYPHENYL)(1(2MORPHOLIN4IUM4YLETHYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
(E)(4(benzyloxy)2methylphenyl)(1(2(morpholin4ium4yl)ethyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
4(4(BENZYLOXY)2METHYLBENZOYL)3HYDROXY1(2MORPHOLINOETHYL)5(3NITROPHENYL)1HPYRROL2(5H)ONE
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC(=CC=C5)(N+)(=O)(O))O
InChI=1SC31H31N3O7c1211825(4120226324722)101126(21)29(35)2728(2385924(1923)34(38)39)33(31(37)30(27)36)131232141640171532h21118192835H121720H21H3b2927+
MFCD20755375
O=C1C(=O)C(=C(c2ccc(cc2C)OCc2ccccc2)(O))C(N1CC(NH+)1CCOCC1)c1cccc(c1)(N+)(=O)(O)
ZINC000102926996
ZINC000102926999
Check stock
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