Vitas-M small molecule compound
2-{[3-(4-ethoxyphenyl)-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
STK003606
SMILES CCOc1ccc(cc1)n1c(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 C27H26FN3O3S2 MW 523.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26FN3O3S2/c1-3-34-19-12-10-18(11-13-19)31-26(33)24-20-6-4-5-7-22(20)36-25(24)30-27(31)35-15-23(32)29-17-9-8-16(2)21(28)14-17/h8-14H,3-7,15H2,1-2H3,(H,29,32)InChIKey
WXGSFIHMQGWJCN-UHFFFAOYSA-NSynonyms
499125-40-52((3(4ethoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(3fluoro4methylphenyl)acetamide
2((3(4ethoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(3fluoro4methylphenyl)acetamide
2((3(4ethoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(3fluoro4methylphenyl)acetamide
499125405
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC(=C(C=C4)C)F)SC5=C3CCCC5
CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)C)nc2c(c1=O)c1CCCCc1s2
InChI=1SC27H26FN3O3S2c133419121018(111319)3126(33)2420645722(20)3625(24)3027(31)351523(32)29179816(2)21(28)1417h814H3715H212H3(H2932)
MFCD03224529
STK003606
ZINC000001811811
ZINC01811811
ZINC1811811
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.