Vitas-M small molecule compound
4-({[5-(ethoxycarbonyl)-4-(4-ethoxyphenyl)-6-methyl-1,4-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoic acid
Catalog ID
STK057801
SMILES CCOC(=O)C1=C(C)NC(=NC1c1ccc(cc1)OCC)SCc1ccc(cc1)C(=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 C24H26N2O5S MW 454.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O5S/c1-4-30-19-12-10-17(11-13-19)21-20(23(29)31-5-2)15(3)25-24(26-21)32-14-16-6-8-18(9-7-16)22(27)28/h6-13,21H,4-5,14H2,1-3H3,(H,25,26)(H,27,28)InChIKey
GDXSVTNYGYCNSO-UHFFFAOYSA-NSynonyms
4(((5(ETHOXYCARBONYL)4(4ETHOXYPHENYL)6METHYL14DIHYDROPYRIMIDIN2YL)SULFANYL)METHYL)BENZOICACID
4((5ETHOXYCARBONYL4(4ETHOXYPHENYL)6METHYL14DIHYDROPYRIMIDIN2YL)SULFANYLMETHYL)BENZOICACID
CCOC(=O)C1=C(C)NC(=NC1c1ccc(cc1)OCC)SCc1ccc(cc1)C(=O)O
CCOC1=CC=C(C=C1)C2C(=C(NC(=N2)SCC3=CC=C(C=C3)C(=O)O)C)C(=O)OCC
InChI=1SC24H26N2O5Sc143019121017(111319)2120(23(29)3152)15(3)2524(2621)3214166818(9716)22(27)28h61321H4514H213H3(H2526)(H2728)
MFCD02762024
STK057801
ZINC000009731919
ZINC000100229625
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