Vitas-M small molecule compound

4-(3-methylphenyl)-1-thioxo-2,4-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one

Catalog ID
STL559693
SMILES Cc1cccc(c1)n1c2n[nH]c(=S)n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1

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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 C25H24N4OS MW 428.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4OS/c1-16-8-7-10-18(14-16)28-22(30)20-21(29-23(28)26-27-24(29)31)19-11-4-3-9-17(19)15-25(20)12-5-2-6-13-25/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,27,31)
InChIKey
JZLDYFUDNOLZAT-UHFFFAOYSA-N
Synonyms
372501-96-7
12(3methylphenyl)16sulfanylidenespiro(12141517tetrazatetracyclo(87002701317)heptadeca1(10)24613pentaene91cyclohexane)11one
1902349
1MERCAPTO4(3METHYLPHENYL)4(H)SPIRO(BENZO((H))(124)TRIAZOLO(43(A))QUINAZOLINE61CYCLOHEXAN)5(7(H))ONE
372501967
4(3methylphenyl)1thioxo24dihydro1Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
MFCD32221532

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Available files

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