Vitas-M small molecule compound

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

Catalog ID
STK557503
SMILES CC(CCn1c2c3ccccc3CC3(c2c(=O)n2c1nnc2SCCC(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 C28H38N4OS MW 478.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N4OS/c1-19(2)12-16-31-24-22-11-7-6-10-21(22)18-28(14-8-5-9-15-28)23(24)25(33)32-26(31)29-30-27(32)34-17-13-20(3)4/h6-7,10-11,19-20H,5,8-9,12-18H2,1-4H3
InChIKey
KIIVTDRWRDKCIS-UHFFFAOYSA-N
Synonyms
578761-67-8
12(3methylbutyl)9((3methylbutyl)sulfanyl)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclohexan)7(12H)one
12isopentyl9(isopentylthio)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclohexan)7(12H)one
578761678
CC(C)CCN1C2=C(C(=O)N3C1=NN=C3SCCC(C)C)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC28H38N4OSc119(2)121631242211761021(22)1828(148591528)23(24)25(33)3226(31)293027(32)34171320(3)4h6710111920H5891218H214H3
MFCD04025830
ZINC000002374800
ZINC02374800
ZINC2374800

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Available files

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