Vitas-M small molecule compound
(2-ethoxy-4-{(Z)-[1-(4-nitrophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STL484747
SMILES CCOc1cc(ccc1OCC(=O)O)/C=C\1/C(=O)NC(=O)N(C1=O)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 C21H17N3O9 MW 455.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O9/c1-2-32-17-10-12(3-8-16(17)33-11-18(25)26)9-15-19(27)22-21(29)23(20(15)28)13-4-6-14(7-5-13)24(30)31/h3-10H,2,11H2,1H3,(H,25,26)(H,22,27,29)/b15-9-InChIKey
HVQJIKMAXRGLIP-DHDCSXOGSA-NSynonyms
(2ethoxy4((Z)(1(4nitrophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)aceticacid
2(2ETHOXY4((Z)(1(4NITROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETICACID
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)(N+)(=O)(O))OCC(=O)O
CCOc1cc(ccc1OCC(=O)O)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC21H17N3O9c1232171012(3816(17)331118(25)26)91519(27)2221(29)23(20(15)28)134614(7513)24(30)31h310H211H21H3(H2526)(H222729)b159
MFCD03993245
ZINC000016246951
ZINC16246951
Check stock
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Check stock on Vitas-MAvailable files
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