Vitas-M small molecule compound
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STK422273
SMILES O=C(Nc1cc(ccc1Cl)C(F)(F)F)CSc1nc2sc3c(c2c(=O)[nH]1)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 C19H15ClF3N3O2S2 MW 473.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClF3N3O2S2/c20-11-6-5-9(19(21,22)23)7-12(11)24-14(27)8-29-18-25-16(28)15-10-3-1-2-4-13(10)30-17(15)26-18/h5-7H,1-4,8H2,(H,24,27)(H,25,26,28)InChIKey
UKCSEZKSCBFWER-UHFFFAOYSA-NSynonyms
C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl
InChI=1SC19H15ClF3N3O2S2c2011659(19(2122)23)712(11)2414(27)829182516(28)1510312413(10)3017(15)2618h57H148H2(H2427)(H252628)
MFCD03943791
N(2chloro5(trifluoromethyl)phenyl)2((4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(2chloro5(trifluoromethyl)phenyl)2((4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
O=C(Nc1cc(ccc1Cl)C(F)(F)F)CSc1nc2sc3c(c2c(=O)(nH)1)CCCC3
ZINC000008640479
ZINC08640479
ZINC8640479
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