Vitas-M small molecule compound
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK996274
SMILES Cc1ccc(cc1)n1c(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 C26H23ClN2O2S2 MW 495.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN2O2S2/c1-16-7-13-19(14-8-16)29-25(31)23-20-5-3-2-4-6-22(20)33-24(23)28-26(29)32-15-21(30)17-9-11-18(27)12-10-17/h7-14H,2-6,15H2,1H3InChIKey
VCPUTGPEAQVSNY-UHFFFAOYSA-NSynonyms
2((2(4chlorophenyl)2oxoethyl)sulfanyl)3(4methylphenyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
2(2(4chlorophenyl)2oxoethyl)sulfanyl3(4methylphenyl)6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC=C(C=C4)Cl)SC5=C3CCCCC5
InChI=1SC26H23ClN2O2S2c11671319(14816)2925(31)23205324622(20)3324(23)2826(29)321521(30)1791118(27)121017h714H2615H21H3
MFCD02631133
ZINC000008432458
ZINC08432458
ZINC8432458
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