Vitas-M small molecule compound
1-(4-bromophenyl)-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}ethanone
Catalog ID
STK721404
SMILES CC(Cc1nc2sc3c(c2c2c1CCCC2)ncn1c3nnc1SCC(=O)c1ccc(cc1)Br)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 C26H24BrN5OS2 MW 566.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24BrN5OS2/c1-14(2)11-19-17-5-3-4-6-18(17)21-22-23(35-25(21)29-19)24-30-31-26(32(24)13-28-22)34-12-20(33)15-7-9-16(27)10-8-15/h7-10,13-14H,3-6,11-12H2,1-2H3InChIKey
JJKIUSIRVXQBSA-UHFFFAOYSA-NSynonyms
1(4bromophenyl)2((11(2methylpropyl)78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinolin3yl)sulfanyl)ethanone
1(4bromophenyl)2((11isobutyl78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinolin3yl)thio)ethanone
CC(C)CC1=C2CCCCC2=C3C4=C(C5=NN=C(N5C=N4)SCC(=O)C6=CC=C(C=C6)Br)SC3=N1
InChI=1SC26H24BrN5OS2c114(2)111917534618(17)212223(3525(21)2919)24303126(32(24)132822)341220(33)157916(27)10815h7101314H361112H212H3
MFCD03009348
ZINC000001780382
ZINC01780382
ZINC1780382
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