Vitas-M small molecule compound
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK553846
SMILES CCOc1ccc(cc1)n1c(SCc2c(F)cccc2Cl)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 C25H22ClFN2O2S2 MW 501.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClFN2O2S2/c1-2-31-16-12-10-15(11-13-16)29-24(30)22-17-6-3-4-9-21(17)33-23(22)28-25(29)32-14-18-19(26)7-5-8-20(18)27/h5,7-8,10-13H,2-4,6,9,14H2,1H3InChIKey
MQOHWLMRDZTZJP-UHFFFAOYSA-NSynonyms
613226-70-32((2chloro6fluorobenzyl)sulfanyl)3(4ethoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((2chloro6fluorobenzyl)thio)3(4ethoxyphenyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2((2chloro6fluorophenyl)methylsulfanyl)3(4ethoxyphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
613226703
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=C(C=CC=C4Cl)F)SC5=C3CCCC5
InChI=1SC25H22ClFN2O2S2c123116121015(111316)2924(30)2217634921(17)3323(22)2825(29)32141819(26)75820(18)27h5781013H246914H21H3
MFCD03474453
ZINC000002259434
ZINC02259434
ZINC2259434
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