Vitas-M small molecule compound
4-methyl-1-[(2-oxo-2-phenylethyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK532637
SMILES O=C(c1ccccc1)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2C)CCCCC3
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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 C27H26N4O2S MW 470.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O2S/c1-30-24(33)22-23(20-13-7-6-12-19(20)16-27(22)14-8-3-9-15-27)31-25(30)28-29-26(31)34-17-21(32)18-10-4-2-5-11-18/h2,4-7,10-13H,3,8-9,14-17H2,1H3InChIKey
OVWNKODAEFFJDR-UHFFFAOYSA-NSynonyms
4methyl1((2oxo2phenylethyl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4methyl1((2oxo2phenylethyl)thio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N5C1=NN=C5SCC(=O)C6=CC=CC=C6
InChI=1SC27H26N4O2Sc13024(33)2223(2013761219(20)1627(22)148391527)3125(30)282926(31)341721(32)18104251118h2471013H3891417H21H3
MFCD02238102
ZINC000001749361
ZINC1749361
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