Vitas-M small molecule compound
2-{[11-(2-methylpropyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl]sulfanyl}-1-phenylethanone
Catalog ID
STK721403
SMILES CC(Cc1nc2sc3c(c2c2c1CCCC2)ncn1c3nnc1SCC(=O)c1ccccc1)C
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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 C26H25N5OS2 MW 487.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5OS2/c1-15(2)12-19-17-10-6-7-11-18(17)21-22-23(34-25(21)28-19)24-29-30-26(31(24)14-27-22)33-13-20(32)16-8-4-3-5-9-16/h3-5,8-9,14-15H,6-7,10-13H2,1-2H3InChIKey
AJVMGHXFALAGRY-UHFFFAOYSA-NSynonyms
489402-21-32((11(2methylpropyl)78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinolin3yl)sulfanyl)1phenylethanone
2((11isobutyl78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinolin3yl)thio)1phenylethanone
489402213
CC(C)CC1=C2CCCCC2=C3C4=C(C5=NN=C(N5C=N4)SCC(=O)C6=CC=CC=C6)SC3=N1
InChI=1SC26H25N5OS2c115(2)12191710671118(17)212223(3425(21)2819)24293026(31(24)142722)331320(32)168435916h35891415H671013H212H3
MFCD03295959
ZINC000001306750
ZINC01306750
ZINC1306750
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