Vitas-M small molecule compound
4-({4-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}methyl)benzoic acid
Catalog ID
STK188184
SMILES CN1C(=S)N(C)C(=O)C(=Cc2ccc(cc2)OCc2ccc(cc2)C(=O)O)C1=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 C21H18N2O5S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5S/c1-22-18(24)17(19(25)23(2)21(22)29)11-13-5-9-16(10-6-13)28-12-14-3-7-15(8-4-14)20(26)27/h3-11H,12H2,1-2H3,(H,26,27)InChIKey
AAJQQEIMBUJEOR-UHFFFAOYSA-NSynonyms
4((4((13DIMETHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((4((13DIMETHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CN1C(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)C(=O)N(C1=S)C
InChI=1SC21H18N2O5Sc12218(24)17(19(25)23(2)21(22)29)11135916(10613)2812143715(8414)20(26)27h311H12H212H3(H2627)
MFCD02624221
ZINC000004723877
ZINC4723877
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