Vitas-M small molecule compound
3,3-dimethyl-2-oxobutyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Catalog ID
STK275576
SMILES O=C(C(C)(C)C)COC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)[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 C21H18N2O7 MW 410.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O7/c1-21(2,3)17(24)11-30-20(27)12-4-9-15-16(10-12)19(26)22(18(15)25)13-5-7-14(8-6-13)23(28)29/h4-10H,11H2,1-3H3InChIKey
VIZIELFZXHZJDS-UHFFFAOYSA-NSynonyms
(33DIMETHYL2OXOBUTYL)2(4NITROPHENYL)13DIOXOISOINDOLE5CARBOXYLATE
33dimethyl2oxobutyl2(4nitrophenyl)13dioxo23dihydro1Hisoindole5carboxylate
33DIMETHYL2OXOBUTYL2(4NITROPHENYL)13DIOXOBENZO(C)AZOLIDINE5CARBOXYLATE
CC(C)(C)C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC21H18N2O7c121(23)17(24)113020(27)12491516(1012)19(26)22(18(15)25)135714(8613)23(28)29h410H11H213H3
MFCD03037748
O=C(C(C)(C)C)COC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000004545224
ZINC04545224
ZINC4545224
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