Vitas-M small molecule compound
2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-3-(4-chlorophenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK080377
SMILES Clc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)OCO3)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 C25H19ClN2O4S2 MW 511.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClN2O4S2/c26-15-6-8-16(9-7-15)28-24(30)22-17-3-1-2-4-21(17)34-23(22)27-25(28)33-12-18(29)14-5-10-19-20(11-14)32-13-31-19/h5-11H,1-4,12-13H2InChIKey
KKHHBRLZUZTGMJ-UHFFFAOYSA-NSynonyms
499102-53-32((2(13benzodioxol5yl)2oxoethyl)sulfanyl)3(4chlorophenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((2(benzo(d)(13)dioxol5yl)2oxoethyl)thio)3(4chlorophenyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2(2(13benzodioxol5yl)2oxoethyl)sulfanyl3(4chlorophenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
499102533
C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)Cl)SCC(=O)C5=CC6=C(C=C5)OCO6
Clc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)OCO3)nc2c(c1=O)c1CCCCc1s2
InChI=1SC25H19ClN2O4S2c26156816(9715)2824(30)2217312421(17)3423(22)2725(28)331218(29)145101920(1114)32133119h511H141213H2
MFCD03223869
STK080377
ZINC000001746486
ZINC01746486
ZINC1746486
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