Vitas-M small molecule compound
S-{[5-oxo-4-(2-phenylethyl)-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]methyl} (2-methoxyphenyl)carbamothioate
Catalog ID
STL233280
SMILES COc1ccccc1NC(=O)SCc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)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 C28H27N5O3S2 MW 545.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O3S2/c1-36-21-13-7-6-12-20(21)29-28(35)37-17-23-30-31-27-32(16-15-18-9-3-2-4-10-18)25(34)24-19-11-5-8-14-22(19)38-26(24)33(23)27/h2-4,6-7,9-10,12-13H,5,8,11,14-17H2,1H3,(H,29,35)InChIKey
PMXHVZKIBPFMQQ-UHFFFAOYSA-NSynonyms
488823-06-9488823069
COC1=CC=CC=C1NC(=O)SCC2=NN=C3N2C4=C(C5=C(S4)CCCC5)C(=O)N3CCC6=CC=CC=C6
InChI=1SC28H27N5O3S2c1362113761220(21)2928(35)37172330312732(16151893241018)25(34)241911581422(19)3826(24)33(23)27h24679101213H58111417H21H3(H2935)
MFCD03293754
S((5oxo4(2phenylethyl)456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)methyl)(2methoxyphenyl)carbamothioate
S((5oxo4phenethyl456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)methyl)(2methoxyphenyl)carbamothioate
ZINC000002366198
ZINC2366198
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