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}-N-(4-phenylbutan-2-yl)acetamide

Catalog ID
STK542351
SMILES CC(Cc1nc2sc3c(c2c2c1CCCC2)ncn1c3nnc1SCC(=O)NC(CCc1ccccc1)C)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 C30H34N6OS2 MW 558.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N6OS2/c1-18(2)15-23-21-11-7-8-12-22(21)25-26-27(39-29(25)33-23)28-34-35-30(36(28)17-31-26)38-16-24(37)32-19(3)13-14-20-9-5-4-6-10-20/h4-6,9-10,17-19H,7-8,11-16H2,1-3H3,(H,32,37)
InChIKey
ITZYSPXBGLDJKF-UHFFFAOYSA-N
Synonyms

2((11(2methylpropyl)78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinolin3yl)sulfanyl)N(4phenylbutan2yl)acetamide
2((11isobutyl78910tetrahydro(124)triazolo(4316)pyrimido(4545)thieno(23c)isoquinolin3yl)thio)N(4phenylbutan2yl)acetamide
CC(C)CC1=C2CCCCC2=C3C4=C(C5=NN=C(N5C=N4)SCC(=O)NC(C)CCC6=CC=CC=C6)SC3=N1
InChI=1SC30H34N6OS2c118(2)15232111781222(21)252627(3929(25)3323)28343530(36(28)173126)381624(37)3219(3)13142095461020h469101719H781116H213H3(H3237)
MFCD03290244
ZINC000053319259
ZINC000053319260

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Available files

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