Vitas-M small molecule compound
methyl 3-[(4-methoxy-2-nitrophenyl)carbamoyl]-5-nitrobenzoate
Catalog ID
STK030260
SMILES COc1ccc(c(c1)[N+](=O)[O-])NC(=O)c1cc(cc(c1)C(=O)OC)[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 C16H13N3O8 MW 375.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O8/c1-26-12-3-4-13(14(8-12)19(24)25)17-15(20)9-5-10(16(21)27-2)7-11(6-9)18(22)23/h3-8H,1-2H3,(H,17,20)InChIKey
KXIGXZOCZHMPCX-UHFFFAOYSA-NSynonyms
329931-83-1329931831
COC1=CC(=C(C=C1)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))NC(=O)c1cc(cc(c1)C(=O)OC)(N+)(=O)(O)
InChI=1SC16H13N3O8c126123413(14(812)19(24)25)1715(20)9510(16(21)272)711(69)18(22)23h38H12H3(H1720)
METHYL3((4METHOXY2NITROPHENYL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(4METHOXY2NITROPHENYL)CARBAMOYL)3NITROBENZOATE
MFCD01196911
STK030260
ZINC000008768529
ZINC08768529
ZINC8768529
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