Vitas-M small molecule compound
4-({[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid
Catalog ID
STK085185
SMILES COc1ccc(cc1)n1c(SCc2ccc(cc2)C(=O)O)nc2c(c1=O)c1CCCCc1s2
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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 C25H22N2O4S2 MW 478.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O4S2/c1-31-18-12-10-17(11-13-18)27-23(28)21-19-4-2-3-5-20(19)33-22(21)26-25(27)32-14-15-6-8-16(9-7-15)24(29)30/h6-13H,2-5,14H2,1H3,(H,29,30)InChIKey
TWUHBIHMYOADRI-UHFFFAOYSA-NSynonyms
477330-71-54(((3(4methoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)methyl)benzoicacid
4(((3(4methoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)methyl)benzoicacid
4((3(4methoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanylmethyl)benzoicacid
477330715
COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)C(=O)O)SC5=C3CCCC5
COc1ccc(cc1)n1c(SCc2ccc(cc2)C(=O)O)nc2c(c1=O)c1CCCCc1s2
InChI=1SC25H22N2O4S2c13118121017(111318)2723(28)2119423520(19)3322(21)2625(27)3214156816(9715)24(29)30h613H2514H21H3(H2930)
MFCD03473821
STK085185
ZINC000001804762
ZINC1804762
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