Vitas-M small molecule compound
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(cyclohexylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK721960
SMILES Clc1ccc(cc1)C(=O)CSc1nc2sc3c(c2c(=O)n1CC1CCCCC1)CCCC3
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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 C25H27ClN2O2S2 MW 487.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClN2O2S2/c26-18-12-10-17(11-13-18)20(29)15-31-25-27-23-22(19-8-4-5-9-21(19)32-23)24(30)28(25)14-16-6-2-1-3-7-16/h10-13,16H,1-9,14-15H2InChIKey
NJGATLIYWIBHSU-UHFFFAOYSA-NSynonyms
2((2(4chlorophenyl)2oxoethyl)sulfanyl)3(cyclohexylmethyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((2(4chlorophenyl)2oxoethyl)thio)3(cyclohexylmethyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2(2(4chlorophenyl)2oxoethyl)sulfanyl3(cyclohexylmethyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
C1CCC(CC1)CN2C(=O)C3=C(N=C2SCC(=O)C4=CC=C(C=C4)Cl)SC5=C3CCCC5
InChI=1SC25H27ClN2O2S2c2618121017(111318)20(29)153125272322(19845921(19)3223)24(30)28(25)14166213716h101316H191415H2
MFCD01647592
ZINC000002081395
ZINC02081395
ZINC2081395
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