Vitas-M small molecule compound
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 2-oxo-2H-chromene-3-carboxylate
Catalog ID
STK327590
SMILES O=C(c1cc2ccccc2oc1=O)OCC(=O)c1ccc(c(c1)[N+](=O)[O-])C
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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 C19H13NO7 MW 367.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13NO7/c1-11-6-7-12(9-15(11)20(24)25)16(21)10-26-18(22)14-8-13-4-2-3-5-17(13)27-19(14)23/h2-9H,10H2,1H3InChIKey
KIALPEODSYRDCB-UHFFFAOYSA-NSynonyms
667439-10-3(2(4METHYL3NITROPHENYL)2OXOETHYL)2OXOCHROMENE3CARBOXYLATE
2(4METHYL3NITROPHENYL)2OXOETHYL2OXO2HCHROMENE3CARBOXYLATE
667439103
CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2=O)(N+)(=O)(O)
InChI=1SC19H13NO7c1116712(915(11)20(24)25)16(21)102618(22)14813423517(13)2719(14)23h29H10H21H3
MFCD03917281
O=C(c1cc2ccccc2oc1=O)OCC(=O)c1ccc(c(c1)(N+)(=O)(O))C
ZINC000002749177
ZINC02749177
ZINC2749177
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