Vitas-M small molecule compound

12-(2-methylpropyl)-9-[(2-methylpropyl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one

Catalog ID
STK556163
SMILES CC(Cn1c2c3ccccc3CC3(c2c(=O)n2c1nnc2SCC(C)C)CCCCC3)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 C26H34N4OS MW 450.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N4OS/c1-17(2)15-29-22-20-11-7-6-10-19(20)14-26(12-8-5-9-13-26)21(22)23(31)30-24(29)27-28-25(30)32-16-18(3)4/h6-7,10-11,17-18H,5,8-9,12-16H2,1-4H3
InChIKey
KLXPKEJQCWHWHO-UHFFFAOYSA-N
Synonyms
843636-42-0
12(2methylpropyl)9((2methylpropyl)sulfanyl)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclohexan)7(12H)one
12isobutyl9(isobutylthio)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclohexan)7(12H)one
843636420
CC(C)CN1C2=C(C(=O)N3C1=NN=C3SCC(C)C)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC26H34N4OSc117(2)1529222011761019(20)1426(128591326)21(22)23(31)3024(29)272825(30)321618(3)4h6710111718H5891216H214H3
MFCD04016171
ZINC000002448095
ZINC02448095
ZINC2448095

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Available files

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