Vitas-M small molecule compound
4-({(1E)-1-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}amino)benzoic acid
Catalog ID
STL042040
SMILES C=CCN1C(=O)N=C(/C(=C(\Nc2ccc(cc2)C(=O)O)/C)/C1=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 C16H15N3O5 MW 329.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O5/c1-3-8-19-14(21)12(13(20)18-16(19)24)9(2)17-11-6-4-10(5-7-11)15(22)23/h3-7,17H,1,8H2,2H3,(H,22,23)(H,18,20,24)/b12-9+InChIKey
OXUZNDWLNPVEFF-FMIVXFBMSA-NSynonyms
4(((1E)1(246TRIOXO1PROP2ENYL13DIAZINAN5YLIDENE)ETHYL)AMINO)BENZOICACID
4(((1E)1(4hydroxy26dioxo1(prop2en1yl)16dihydropyrimidin5(2H)ylidene)ethyl)amino)benzoicacid
4(1(1ALLYL246TRIOXOTETRAHYDROPYRIMIDIN(5E)YLIDENE)ETHYLAMINO)BENZOICACID
C=CCN1C(=O)N=C(C(=C(Nc2ccc(cc2)C(=O)O)C)C1=O)O
CC(=C1C(=O)NC(=O)N(C1=O)CC=C)NC2=CC=C(C=C2)C(=O)O
InChI=1SC16H15N3O5c1381914(21)12(13(20)1816(19)24)9(2)17116410(5711)15(22)23h3717H18H22H3(H2223)(H182024)b129+
MFCD05738074
ZINC000016136447
ZINC16136447
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