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} (4-methoxyphenyl)carbamothioate
Catalog ID
STK543223
SMILES COc1ccc(cc1)NC(=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/c1-36-20-13-11-19(12-14-20)29-28(35)37-17-23-30-31-27-32(16-15-18-7-3-2-4-8-18)25(34)24-21-9-5-6-10-22(21)38-26(24)33(23)27/h2-4,7-8,11-14H,5-6,9-10,15-17H2,1H3,(H,29,35)InChIKey
DPUXMIHHXYGRCL-UHFFFAOYSA-NSynonyms
488088-29-5488088295
COC1=CC=C(C=C1)NC(=O)SCC2=NN=C3N2C4=C(C5=C(S4)CCCC5)C(=O)N3CCC6=CC=CC=C6
InChI=1SC28H27N5O3S2c13620131119(121420)2928(35)37172330312732(1615187324818)25(34)24219561022(21)3826(24)33(23)27h24781114H569101517H21H3(H2935)
MFCD03287796
S((5oxo4(2phenylethyl)456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)methyl)(4methoxyphenyl)carbamothioate
S((5oxo4phenethyl456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)methyl)(4methoxyphenyl)carbamothioate
ZINC000001774832
ZINC01774832
ZINC1774832
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