Vitas-M small molecule compound
4-ethyl-1-[(2-phenylethyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK835236
SMILES CCn1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCCc1ccccc1
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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 C28H30N4OS MW 470.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4OS/c1-2-31-25(33)23-24(22-14-8-7-13-21(22)19-28(23)16-9-4-10-17-28)32-26(31)29-30-27(32)34-18-15-20-11-5-3-6-12-20/h3,5-8,11-14H,2,4,9-10,15-19H2,1H3InChIKey
UYTOOFWZFZZPLK-UHFFFAOYSA-NSynonyms
4ethyl1((2phenylethyl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4ethyl1(phenethylthio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N5C1=NN=C5SCCC6=CC=CC=C6
InChI=1SC28H30N4OSc123125(33)2324(2214871321(22)1928(23)1694101728)3226(31)293027(32)34181520115361220h3581114H249101519H21H3
MFCD02235358
ZINC000001830925
ZINC1830925
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