Vitas-M small molecule compound
N-(4-chlorophenyl)-2-{[4-(4-chlorophenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Catalog ID
STK557556
SMILES O=C(Nc1ccc(cc1)Cl)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)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 C25H19Cl2N5O2S2 MW 556.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19Cl2N5O2S2/c26-14-5-9-16(10-6-14)28-20(33)13-35-25-30-29-24-31(17-11-7-15(27)8-12-17)22(34)21-18-3-1-2-4-19(18)36-23(21)32(24)25/h5-12H,1-4,13H2,(H,28,33)InChIKey
IUUOFSOEGPZTQN-UHFFFAOYSA-NSynonyms
C1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCC(=O)NC5=CC=C(C=C5)Cl)N(C3=O)C6=CC=C(C=C6)Cl
InChI=1SC25H19Cl2N5O2S2c26145916(10614)2820(33)13352530292431(1711715(27)81217)22(34)2118312419(18)3623(21)32(24)25h512H1413H2(H2833)
MFCD04026164
N(4chlorophenyl)2((4(4chlorophenyl)5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetamide
N(4chlorophenyl)2((4(4chlorophenyl)5oxo456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetamide
ZINC000002591470
ZINC2591470
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