Vitas-M small molecule compound
ethyl {[4-(4-chlorophenyl)-7-methyl-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}acetate
Catalog ID
STK558705
SMILES CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)CC(CC3)C
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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 C22H21ClN4O3S2 MW 489.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O3S2/c1-3-30-17(28)11-31-22-25-24-21-26(14-7-5-13(23)6-8-14)19(29)18-15-10-12(2)4-9-16(15)32-20(18)27(21)22/h5-8,12H,3-4,9-11H2,1-2H3InChIKey
COJJQUHXISKMDG-UHFFFAOYSA-NSynonyms
587006-65-3587006653
CCOC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)CCC(C4)C)C(=O)N2C5=CC=C(C=C5)Cl
ethyl((4(4chlorophenyl)7methyl5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
ethyl2((4(4chlorophenyl)7methyl5oxo456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
InChI=1SC22H21ClN4O3S2c133017(28)11312225242126(147513(23)6814)19(29)18151012(2)4916(15)3220(18)27(21)22h5812H34911H212H3
MFCD04034106
ZINC000002399067
ZINC000002399068
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