Vitas-M small molecule compound
2-(3-nitrophenyl)-2-oxoethyl 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)cyclohexanecarboxylate
Catalog ID
STK359378
SMILES O=C(C1CCC(CC1)N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)OCC(=O)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 C26H26N2O7 MW 478.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O7/c29-21(14-2-1-3-16(10-14)28(33)34)12-35-26(32)13-4-6-15(7-5-13)27-24(30)22-17-8-9-18(20-11-19(17)20)23(22)25(27)31/h1-3,8-10,13,15,17-20,22-23H,4-7,11-12H2InChIKey
WZJKUMLSTXGUBJ-UHFFFAOYSA-NSynonyms
2(3nitrophenyl)2oxoethyl4(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)cyclohexanecarboxylate
C1CC(CCC1C(=O)OCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))N3C(=O)C4C5C=CC(C4C3=O)C6C5C6
InChI=1SC26H26N2O7c2921(1421316(1014)28(33)34)123526(32)134615(7513)2724(30)22178918(201119(17)20)23(22)25(27)31h13810131517202223H471112H2
MFCD02915357
O=C(C1CCC(CC1)N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)OCC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000239235919
ZINC000239235922
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