Vitas-M small molecule compound
N-(4-chlorophenyl)-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
STK721409
SMILES CC(Cc1nc2sc3c(c2c2c1CCCC2)ncn1c3nnc1SCC(=O)Nc1ccc(cc1)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 C26H25ClN6OS2 MW 537.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN6OS2/c1-14(2)11-19-17-5-3-4-6-18(17)21-22-23(36-25(21)30-19)24-31-32-26(33(24)13-28-22)35-12-20(34)29-16-9-7-15(27)8-10-16/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,29,34)InChIKey
SFIHQMGHVWJQQZ-UHFFFAOYSA-NSynonyms
497245-19-9497245199
CC(C)CC1=C2CCCCC2=C3C4=C(C5=NN=C(N5C=N4)SCC(=O)NC6=CC=C(C=C6)Cl)SC3=N1
InChI=1SC26H25ClN6OS2c114(2)111917534618(17)212223(3625(21)3019)24313226(33(24)132822)351220(34)29169715(27)81016h7101314H361112H212H3(H2934)
MFCD03297951
N(4chlorophenyl)2((11(2methylpropyl)78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinolin3yl)sulfanyl)acetamide
N(4chlorophenyl)2((11isobutyl78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinolin3yl)thio)acetamide
ZINC000097951617
ZINC97951617
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