Vitas-M small molecule compound
4-({4-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Catalog ID
STK051441
SMILES COc1cc(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 C22H20N2O6S MW 440.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O6S/c1-23-19(25)16(20(26)24(2)22(23)31)10-14-6-9-17(18(11-14)29-3)30-12-13-4-7-15(8-5-13)21(27)28/h4-11H,12H2,1-3H3,(H,27,28)InChIKey
CFHQRDQAKAAPFA-UHFFFAOYSA-NSynonyms
4((4((13DIMETHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOICACID
4((4((13DIMETHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOICACID
CN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)OC)C(=O)N(C1=S)C
COc1cc(ccc1OCc1ccc(cc1)C(=O)O)C=C1C(=O)N(C)C(=S)N(C1=O)C
InChI=1SC22H20N2O6Sc12319(25)16(20(26)24(2)22(23)31)10146917(18(1114)293)3012134715(8513)21(27)28h411H12H213H3(H2728)
MFCD02779631
STK051441
ZINC000009434734
ZINC9434734
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