Vitas-M small molecule compound
4-({4-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-ethoxyphenoxy}methyl)benzoic acid
Catalog ID
STK188173
SMILES CCOc1cc(ccc1OCc1ccc(cc1)C(=O)O)C=C1C(=O)N(C)C(=S)N(C1=O)C
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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 C23H22N2O6S MW 454.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O6S/c1-4-30-19-12-15(11-17-20(26)24(2)23(32)25(3)21(17)27)7-10-18(19)31-13-14-5-8-16(9-6-14)22(28)29/h5-12H,4,13H2,1-3H3,(H,28,29)InChIKey
ZPJHQXCCHNUWMW-UHFFFAOYSA-NSynonyms
425655-50-14((4((13DIMETHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2ETHOXYPHENOXY)METHYL)BENZOICACID
4((4((13DIMETHYL46DIOXO2THIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)2ETHOXYPHENOXY)METHYL)BENZOICACID
4((4((13DIMETHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2ETHOXYPHENOXY)METHYL)BENZOICACID
425655501
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)N(C2=O)C)C)OCC3=CC=C(C=C3)C(=O)O
InChI=1SC23H22N2O6Sc1430191215(111720(26)24(2)23(32)25(3)21(17)27)71018(19)3113145816(9614)22(28)29h512H413H213H3(H2829)
MFCD02608923
ZINC000009260220
ZINC9260220
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