Vitas-M small molecule compound
9-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-(4-methoxyphenyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Catalog ID
STK995849
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)c1CCc3c(c1s2)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 C29H21ClN2O3S2 MW 545.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClN2O3S2/c1-35-21-13-11-20(12-14-21)32-28(34)25-23-15-8-17-4-2-3-5-22(17)26(23)37-27(25)31-29(32)36-16-24(33)18-6-9-19(30)10-7-18/h2-7,9-14H,8,15-16H2,1H3InChIKey
HWUVFYZYIHISRJ-UHFFFAOYSA-NSynonyms
9((2(4chlorophenyl)2oxoethyl)sulfanyl)8(4methoxyphenyl)58dihydronaphtho(2145)thieno(23d)pyrimidin7(6H)one
COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC=C(C=C4)Cl)SC5=C3CCC6=CC=CC=C65
InChI=1SC29H21ClN2O3S2c13521131120(121421)3228(34)252315817423522(17)26(23)3727(25)3129(32)361624(33)186919(30)10718h27914H81516H21H3
MFCD01992675
ZINC000098048245
ZINC98048245
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