Vitas-M small molecule compound
3-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK722400
SMILES CCCCn1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)c1CCCCCc1s2
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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 C23H25ClN2O2S2 MW 461.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN2O2S2/c1-2-3-13-26-22(28)20-17-7-5-4-6-8-19(17)30-21(20)25-23(26)29-14-18(27)15-9-11-16(24)12-10-15/h9-12H,2-8,13-14H2,1H3InChIKey
PXWOOHBVQJPAPT-UHFFFAOYSA-NSynonyms
351004-88-1351004881
3butyl2((2(4chlorophenyl)2oxoethyl)sulfanyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3butyl2((2(4chlorophenyl)2oxoethyl)thio)6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
3butyl2(2(4chlorophenyl)2oxoethyl)sulfanyl6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
CCCCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Cl)SC4=C2CCCCC4
InChI=1SC23H25ClN2O2S2c123132622(28)20177546819(17)3021(20)2523(26)291418(27)1591116(24)121015h912H281314H21H3
MFCD01943543
ZINC000002277238
ZINC02277238
ZINC2277238
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