Vitas-M small molecule compound
methyl {[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
STK557006
SMILES COC(=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 C21H19ClN4O3S2 MW 474.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O3S2/c1-11-3-8-15-14(9-11)17-18(28)25(13-6-4-12(22)5-7-13)20-23-24-21(26(20)19(17)31-15)30-10-16(27)29-2/h4-7,11H,3,8-10H2,1-2H3InChIKey
KFYVNVKDCGKQPL-UHFFFAOYSA-NSynonyms
577985-36-5577985365
CC1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCC(=O)OC)N(C3=O)C5=CC=C(C=C5)Cl
InChI=1SC21H19ClN4O3S2c111381514(911)1718(28)25(136412(22)5713)20232421(26(20)19(17)3115)301016(27)292h4711H3810H212H3
methyl((4(4chlorophenyl)7methyl5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
methyl2((4(4chlorophenyl)7methyl5oxo456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
MFCD04022072
ZINC000002348920
ZINC000002348922
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