Vitas-M small molecule compound
methyl [(5-oxo-4-phenyl-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
STK045398
SMILES COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)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 C20H18N4O3S2 MW 426.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O3S2/c1-27-15(25)11-28-20-22-21-19-23(12-7-3-2-4-8-12)17(26)16-13-9-5-6-10-14(13)29-18(16)24(19)20/h2-4,7-8H,5-6,9-11H2,1H3InChIKey
ODPNXHLHZFYRGV-UHFFFAOYSA-NSynonyms
353762-95-5353762955
COC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5
COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCC3
InChI=1SC20H18N4O3S2c12715(25)11282022211923(127324812)17(26)16139561014(13)2918(16)24(19)20h2478H56911H21H3
methyl((5oxo4phenyl456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
methyl2((5oxo4phenyl456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
MFCD01556848
STK045398
ZINC000000680212
ZINC00680212
ZINC680212
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