Vitas-M small molecule compound
2-(3-nitrophenyl)-2-oxoethyl 2-(1-bromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate (non-preferred name)
Catalog ID
STK268721
SMILES O=C(c1ccccc1N1C(=O)C2C(C1=O)C1(Br)c3c(C2c2c1cccc2)cccc3)OCC(=O)c1cccc(c1)[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 C33H21BrN2O7 MW 637.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H21BrN2O7/c34-33-23-13-4-1-10-20(23)27(21-11-2-5-14-24(21)33)28-29(33)31(39)35(30(28)38)25-15-6-3-12-22(25)32(40)43-17-26(37)18-8-7-9-19(16-18)36(41)42/h1-16,27-29H,17H2InChIKey
QFNUMOYWXUNSHZ-UHFFFAOYSA-NSynonyms
2(3nitrophenyl)2oxoethyl2(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)Br)C(=O)N(C4=O)C6=CC=CC=C6C(=O)OCC(=O)C7=CC(=CC=C7)(N+)(=O)(O)
InChI=1SC33H21BrN2O7c34332313411020(23)27(2111251424(21)33)2829(33)31(39)35(30(28)38)2515631222(25)32(40)431726(37)1887919(1618)36(41)42h1162729H17H2
MFCD01179527
O=C(c1ccccc1N1C(=O)C2C(C1=O)C1(Br)c3c(C2c2c1cccc2)cccc3)OCC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000008426134
ZINC000008426141
Check stock
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