Vitas-M small molecule compound

12-(3-methylbutyl)-9-[(3-methylbutyl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one

Catalog ID
STK552346
SMILES CC(CCn1c2c3ccccc3CC3(c2c(=O)n2c1nnc2SCCC(C)C)CCCC3)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 C27H36N4OS MW 464.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N4OS/c1-18(2)11-15-30-23-21-10-6-5-9-20(21)17-27(13-7-8-14-27)22(23)24(32)31-25(30)28-29-26(31)33-16-12-19(3)4/h5-6,9-10,18-19H,7-8,11-17H2,1-4H3
InChIKey
DQWAQKDWSQUHAO-UHFFFAOYSA-N
Synonyms
840456-82-8
12(3methylbutyl)9((3methylbutyl)sulfanyl)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclopentan)7(12H)one
12isopentyl9(isopentylthio)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclopentan)7(12H)one
840456828
CC(C)CCN1C2=C(C(=O)N3C1=NN=C3SCCC(C)C)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC27H36N4OSc118(2)11153023211065920(21)1727(13781427)22(23)24(32)3125(30)282926(31)33161219(3)4h569101819H781117H214H3
MFCD03694259
ZINC000002256595
ZINC02256595
ZINC2256595

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Available files

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