Vitas-M small molecule compound
4-(6-hydroxy-1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl (2E)-3-(4-nitrophenyl)prop-2-enoate
Catalog ID
STK589255
SMILES O=C(Oc1ccc(cc1)C1C2=C(O)c3c(C2=Nc2c1c(=O)n(C)c(=O)n2C)cccc3)/C=C/c1ccc(cc1)[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 C31H22N4O7 MW 562.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22N4O7/c1-33-29-26(30(38)34(2)31(33)39)24(25-27(32-29)21-5-3-4-6-22(21)28(25)37)18-10-14-20(15-11-18)42-23(36)16-9-17-7-12-19(13-8-17)35(40)41/h3-16,24,37H,1-2H3/b16-9+InChIKey
PJIXUTABMJWKIQ-CXUHLZMHSA-NSynonyms
4(6hydroxy13dimethyl24dioxo2345tetrahydro1Hindeno(2156)pyrido(23d)pyrimidin5yl)phenyl(2E)3(4nitrophenyl)prop2enoate
MFCD07197331
O=C(Oc1ccc(cc1)C1C2=C(O)c3c(C2=Nc2c1c(=O)n(C)c(=O)n2C)cccc3)C=Cc1ccc(cc1)(N+)(=O)(O)
ZINC000102673478
ZINC000102673480
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