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} methyl(phenyl)carbamothioate
Catalog ID
STK541411
SMILES CN(c1ccccc1)C(=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 C28H27N5O2S2 MW 529.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O2S2/c1-31(20-12-6-3-7-13-20)28(35)36-18-23-29-30-27-32(17-16-19-10-4-2-5-11-19)25(34)24-21-14-8-9-15-22(21)37-26(24)33(23)27/h2-7,10-13H,8-9,14-18H2,1H3InChIKey
YMUXJUCVCIJYMF-UHFFFAOYSA-NSynonyms
488088-82-0488088820
CN(C1=CC=CC=C1)C(=O)SCC2=NN=C3N2C4=C(C5=C(S4)CCCC5)C(=O)N3CCC6=CC=CC=C6
InChI=1SC28H27N5O2S2c131(20126371320)28(35)36182329302732(171619104251119)25(34)242114891522(21)3726(24)33(23)27h271013H891418H21H3
MFCD03287845
S((5oxo4(2phenylethyl)456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)methyl)methyl(phenyl)carbamothioate
S((5oxo4phenethyl456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)methyl)methyl(phenyl)carbamothioate
ZINC000097951448
ZINC97951448
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