Vitas-M small molecule compound
1-(hexylsulfanyl)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one
Catalog ID
STK530737
SMILES CCCCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1)CCCC3
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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 C29H32N4OS MW 484.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4OS/c1-2-3-4-12-19-35-28-31-30-27-32(22-14-6-5-7-15-22)26(34)24-25(33(27)28)23-16-9-8-13-21(23)20-29(24)17-10-11-18-29/h5-9,13-16H,2-4,10-12,17-20H2,1H3InChIKey
UWWXPPLGAJETMQ-UHFFFAOYSA-NSynonyms
1(hexylsulfanyl)4phenyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)5(7H)one
1(hexylthio)4phenyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)5(7H)one
CCCCCCSC1=NN=C2N1C3=C(C(=O)N2C4=CC=CC=C4)C5(CCCC5)CC6=CC=CC=C63
InChI=1SC29H32N4OSc12341219352831302732(22146571522)26(34)2425(33(27)28)2316981321(23)2029(24)1710111829h591316H2410121720H21H3
MFCD02239281
ZINC000001807674
ZINC1807674
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