Vitas-M small molecule compound
4-ethoxy-3-{(Z)-[1-(3-nitrophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}benzoic acid
Catalog ID
STK057343
SMILES CCOc1ccc(cc1/C=C\1/C(=O)NC(=O)N(C1=O)c1cccc(c1)[N+](=O)[O-])C(=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 C20H15N3O8 MW 425.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O8/c1-2-31-16-7-6-11(19(26)27)8-12(16)9-15-17(24)21-20(28)22(18(15)25)13-4-3-5-14(10-13)23(29)30/h3-10H,2H2,1H3,(H,26,27)(H,21,24,28)/b15-9-InChIKey
XJWOXDUPNULLBT-DHDCSXOGSA-NSynonyms
4ethoxy3((Z)(1(3nitrophenyl)246trioxo13diazinan5ylidene)methyl)benzoicacid
4ETHOXY3((Z)(1(3NITROPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)BENZOICACID
CCOC1=C(C=C(C=C1)C(=O)O)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)(N+)(=O)(O)
CCOc1ccc(cc1C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)(N+)(=O)(O))C(=O)O
InChI=1SC20H15N3O8c1231167611(19(26)27)812(16)91517(24)2120(28)22(18(15)25)1343514(1013)23(29)30h310H2H21H3(H2627)(H212428)b159
MFCD04084996
STK057343
ZINC000013895900
ZINC13895900
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