Vitas-M small molecule compound
methyl {[4-(3-methylphenyl)-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
STK540380
SMILES COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)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 C21H20N4O3S2 MW 440.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S2/c1-12-6-5-7-13(10-12)24-18(27)17-14-8-3-4-9-15(14)30-19(17)25-20(24)22-23-21(25)29-11-16(26)28-2/h5-7,10H,3-4,8-9,11H2,1-2H3InChIKey
OBELPLGPXJZIHG-UHFFFAOYSA-NSynonyms
385416-99-9385416999
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)OC)SC5=C3CCCC5
InChI=1SC21H20N4O3S2c11265713(1012)2418(27)1714834915(14)3019(17)2520(24)222321(25)291116(26)282h5710H348911H212H3
methyl((4(3methylphenyl)5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
methyl2((5oxo4(mtolyl)456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
MFCD03285964
ZINC000001254492
ZINC01254492
ZINC1254492
Check stock
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Check stock on Vitas-MAvailable files
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