Vitas-M small molecule compound
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK830572
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Cl)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 C25H21ClN2O3S2 MW 497.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O3S2/c1-31-18-12-10-17(11-13-18)28-24(30)22-19-4-2-3-5-21(19)33-23(22)27-25(28)32-14-20(29)15-6-8-16(26)9-7-15/h6-13H,2-5,14H2,1H3InChIKey
BKBDDQCEOUZYNJ-UHFFFAOYSA-NSynonyms
312585-66-32((2(4chlorophenyl)2oxoethyl)sulfanyl)3(4methoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((2(4chlorophenyl)2oxoethyl)thio)3(4methoxyphenyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2(2(4chlorophenyl)2oxoethyl)sulfanyl3(4methoxyphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
312585663
COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC=C(C=C4)Cl)SC5=C3CCCC5
InChI=1SC25H21ClN2O3S2c13118121017(111318)2824(30)2219423521(19)3323(22)2725(28)321420(29)156816(26)9715h613H2514H21H3
MFCD01448378
ZINC000002081264
ZINC02081264
ZINC2081264
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