Vitas-M small molecule compound
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL406452
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)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 C27H23ClF3N3O3S2 MW 594.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClF3N3O3S2/c1-2-37-17-10-8-16(9-11-17)34-25(36)23-18-5-3-4-6-21(18)39-24(23)33-26(34)38-14-22(35)32-20-13-15(27(29,30)31)7-12-19(20)28/h7-13H,2-6,14H2,1H3,(H,32,35)InChIKey
IRTMDOIGGWRPQE-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl)SC5=C3CCCC5
InChI=1SC27H23ClF3N3O3S2c12371710816(91117)3425(36)2318534621(18)3924(23)3326(34)381422(35)32201315(27(2930)31)71219(20)28h713H2614H21H3(H3235)
MFCD03224515
N(2chloro5(trifluoromethyl)phenyl)2((3(4ethoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(2chloro5(trifluoromethyl)phenyl)2((3(4ethoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
N(2chloro5(trifluoromethyl)phenyl)2((3(4ethoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000001864891
ZINC01864891
ZINC1864891
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