Vitas-M small molecule compound
2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)propanoate
Catalog ID
STL337087
SMILES O=C(C(n1c(=O)c2ccc3c4c2c(c1=O)ccc4CC3)C)OCC(=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 C25H18N2O7 MW 458.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N2O7/c1-13(25(31)34-12-20(28)14-4-8-17(9-5-14)27(32)33)26-23(29)18-10-6-15-2-3-16-7-11-19(24(26)30)22(18)21(15)16/h4-11,13H,2-3,12H2,1H3InChIKey
GUBIPGCMLHNXNI-UHFFFAOYSA-NSynonyms
462072-28-22(4nitrophenyl)2oxoethyl2(13dioxo1367tetrahydro2Hindeno(671def)isoquinolin2yl)propanoate
2(4nitrophenyl)2oxoethyl2(13dioxo67dihydro1Hindeno(671def)isoquinolin2(3H)yl)propanoate
462072282
CC(C(=O)OCC(=O)C1=CC=C(C=C1)(N+)(=O)(O))N2C(=O)C3=C4C(=CC=C5C4=C(CC5)C=C3)C2=O
InChI=1SC25H18N2O7c113(25(31)341220(28)144817(9514)27(32)33)2623(29)1810615231671119(24(26)30)22(18)21(15)16h41113H2312H21H3
MFCD00763809
O=C(C(n1c(=O)c2ccc3c4c2c(c1=O)ccc4CC3)C)OCC(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000009319169
ZINC000009319171
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