Vitas-M small molecule compound
12-butyl-9-(butylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
Catalog ID
STK554290
SMILES CCCCn1c2c3ccccc3CC3(c2c(=O)n2c1nnc2SCCCC)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 C26H34N4OS MW 450.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N4OS/c1-3-5-16-29-22-20-13-9-8-12-19(20)18-26(14-10-7-11-15-26)21(22)23(31)30-24(29)27-28-25(30)32-17-6-4-2/h8-9,12-13H,3-7,10-11,14-18H2,1-2H3InChIKey
FWOJYKNDUSNDQY-UHFFFAOYSA-NSynonyms
840472-72-212butyl9(butylsulfanyl)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclohexan)7(12H)one
12butyl9(butylthio)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclohexan)7(12H)one
840472722
CCCCN1C2=C(C(=O)N3C1=NN=C3SCCCC)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC26H34N4OSc1351629222013981219(20)1826(14107111526)21(22)23(31)3024(29)272825(30)3217642h891213H3710111418H212H3
MFCD04005510
ZINC000002261399
ZINC02261399
ZINC2261399
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