Vitas-M small molecule compound
4-ethyl-1-[(3-methylbutyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK831353
SMILES CCn1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCCC(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 C25H32N4OS MW 436.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4OS/c1-4-28-22(30)20-21(29-23(28)26-27-24(29)31-15-12-17(2)3)19-11-7-6-10-18(19)16-25(20)13-8-5-9-14-25/h6-7,10-11,17H,4-5,8-9,12-16H2,1-3H3InChIKey
HGQYSWLLAFOCOC-UHFFFAOYSA-NSynonyms
4ethyl1((3methylbutyl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4ethyl1(isopentylthio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N5C1=NN=C5SCCC(C)C
InChI=1SC25H32N4OSc142822(30)2021(2923(28)262724(29)31151217(2)3)1911761018(19)1625(20)138591425h67101117H45891216H213H3
MFCD02235620
ZINC000002294033
ZINC2294033
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