Vitas-M small molecule compound
methyl 3-{[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoate
Catalog ID
STK047346
SMILES COC(=O)c1cccc(c1)NC(=O)CN1C(=O)c2c(C1=O)cc(cc2)[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 C18H13N3O7 MW 383.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O7/c1-28-18(25)10-3-2-4-11(7-10)19-15(22)9-20-16(23)13-6-5-12(21(26)27)8-14(13)17(20)24/h2-8H,9H2,1H3,(H,19,22)InChIKey
RTCGCGKHYPZXAB-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)(N+)(=O)(O)
COC(=O)c1cccc(c1)NC(=O)CN1C(=O)c2c(C1=O)cc(cc2)(N+)(=O)(O)
InChI=1SC18H13N3O7c12818(25)1032411(710)1915(22)92016(23)136512(21(26)27)814(13)17(20)24h28H9H21H3(H1922)
METHYL3(((5NITRO13DIOXO13DIHYDRO2HISOINDOL2YL)ACETYL)AMINO)BENZOATE
METHYL3((2(5NITRO13DIOXOISOINDOL2YL)ACETYL)AMINO)BENZOATE
MFCD02018186
STK047346
ZINC000005914979
ZINC05914979
ZINC5914979
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