Vitas-M small molecule compound
2-(3-nitrophenyl)-2-oxoethyl (1,8-dibromo-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)acetate (non-preferred name)
Catalog ID
STK268458
SMILES O=C(CN1C(=O)C2C(C1=O)C1(Br)c3c(C2(Br)c2c1cccc2)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 C28H18Br2N2O7 MW 654.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18Br2N2O7/c29-27-17-8-1-2-9-18(17)28(30,20-11-4-3-10-19(20)27)24-23(27)25(35)31(26(24)36)13-22(34)39-14-21(33)15-6-5-7-16(12-15)32(37)38/h1-12,23-24H,13-14H2InChIKey
WNIZCHVNUWAPDP-UHFFFAOYSA-NSynonyms
2(3nitrophenyl)2oxoethyl(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)acetate(nonpreferredname)
C1=CC=C2C(=C1)C3(C4C(C2(C5=CC=CC=C53)Br)C(=O)N(C4=O)CC(=O)OCC(=O)C6=CC(=CC=C6)(N+)(=O)(O))Br
InChI=1SC28H18Br2N2O7c292717812918(17)28(302011431019(20)27)2423(27)25(35)31(26(24)36)1322(34)391421(33)1565716(1215)32(37)38h1122324H1314H2
MFCD01156484
O=C(CN1C(=O)C2C(C1=O)C1(Br)c3c(C2(Br)c2c1cccc2)cccc3)OCC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000008449500
ZINC000008449503
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