Vitas-M small molecule compound
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-7-methyl-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK829948
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)c1CCC(Cc1s2)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 C22H21ClN2O2S2 MW 445.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O2S2/c1-3-10-25-21(27)19-16-9-4-13(2)11-18(16)29-20(19)24-22(25)28-12-17(26)14-5-7-15(23)8-6-14/h3,5-8,13H,1,4,9-12H2,2H3InChIKey
ZBYISUQVRYYTTR-UHFFFAOYSA-NSynonyms
2((2(4chlorophenyl)2oxoethyl)sulfanyl)7methyl3(prop2en1yl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(2(4chlorophenyl)2oxoethyl)sulfanyl7methyl3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
3allyl2((2(4chlorophenyl)2oxoethyl)thio)7methyl5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Cl)CC=C
InChI=1SC22H21ClN2O2S2c13102521(27)19169413(2)1118(16)2920(19)2422(25)281217(26)145715(23)8614h35813H14912H22H3
MFCD02233831
ZINC000002292163
ZINC000002292164
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