Vitas-M small molecule compound
N-(3,4-dichlorophenyl)-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}acetamide
Catalog ID
STL407133
SMILES CC(Cc1nc2sc3c(c2c2c1CCCC2)ncn1c3nnc1SCC(=O)Nc1ccc(c(c1)Cl)Cl)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 C26H24Cl2N6OS2 MW 571.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24Cl2N6OS2/c1-13(2)9-19-15-5-3-4-6-16(15)21-22-23(37-25(21)31-19)24-32-33-26(34(24)12-29-22)36-11-20(35)30-14-7-8-17(27)18(28)10-14/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,30,35)InChIKey
YQCLHBQRBKVWHX-UHFFFAOYSA-NSynonyms
CC(C)CC1=C2CCCCC2=C3C4=C(C5=NN=C(N5C=N4)SCC(=O)NC6=CC(=C(C=C6)Cl)Cl)SC3=N1
InChI=1SC26H24Cl2N6OS2c113(2)91915534616(15)212223(3725(21)3119)24323326(34(24)122922)361120(35)30147817(27)18(28)1014h78101213H36911H212H3(H3035)
MFCD03010311
N(34dichlorophenyl)2((11(2methylpropyl)78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinolin3yl)sulfanyl)acetamide
N(34dichlorophenyl)2((11isobutyl78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinolin3yl)thio)acetamide
ZINC000002590525
ZINC2590525
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