Vitas-M small molecule compound
2-[(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
Catalog ID
STL294483
SMILES CCn1c(SCC(=O)Nc2ccc(c(c2)F)C)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 C21H22FN3O2S2 MW 431.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN3O2S2/c1-3-25-20(27)18-14-6-4-5-7-16(14)29-19(18)24-21(25)28-11-17(26)23-13-9-8-12(2)15(22)10-13/h8-10H,3-7,11H2,1-2H3,(H,23,26)InChIKey
TVEJCVHDVOFITR-UHFFFAOYSA-NSynonyms
573669-57-52((3ethyl4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(3fluoro4methylphenyl)acetamide
2((3ethyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(3fluoro4methylphenyl)acetamide
2((3ethyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(3fluoro4methylphenyl)acetamide
573669575
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=C(C=C3)C)F)SC4=C2CCCC4
InChI=1SC21H22FN3O2S2c132520(27)1814645716(14)2919(18)2421(25)281117(26)23139812(2)15(22)1013h810H3711H212H3(H2326)
MFCD04017374
ZINC000002522461
ZINC02522461
ZINC2522461
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