Vitas-M small molecule compound
2-(3-nitrophenyl)-2-oxoethyl (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
STK268321
SMILES O=C(CN1C(=O)C2C(C1=O)C1c3c(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 C28H20N2O7 MW 496.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N2O7/c31-21(15-6-5-7-16(12-15)30(35)36)14-37-22(32)13-29-27(33)25-23-17-8-1-2-9-18(17)24(26(25)28(29)34)20-11-4-3-10-19(20)23/h1-12,23-26H,13-14H2InChIKey
DWQBMHNLPUYCQJ-UHFFFAOYSA-NSynonyms
2(3nitrophenyl)2oxoethyl(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)acetate(nonpreferredname)
C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CC(=O)OCC(=O)C6=CC(=CC=C6)(N+)(=O)(O)
InChI=1SC28H20N2O7c3121(1565716(1215)30(35)36)143722(32)132927(33)252317812918(17)24(26(25)28(29)34)2011431019(20)23h1122326H1314H2
MFCD01138148
O=C(CN1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)OCC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000000822836
ZINC000017975984
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