Vitas-M small molecule compound
11-(benzylsulfanyl)-2,5-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thione
Catalog ID
STK565396
SMILES S=c1[nH]nc2n1c(SCc1ccccc1)nc1c2C2(CCCCC2)Cc2c1cccc2
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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 C25H24N4S2 MW 444.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4S2/c30-23-28-27-22-20-21(26-24(29(22)23)31-16-17-9-3-1-4-10-17)19-12-6-5-11-18(19)15-25(20)13-7-2-8-14-25/h1,3-6,9-12H,2,7-8,13-16H2,(H,28,30)InChIKey
XMRHVTSDOVNLGN-UHFFFAOYSA-NSynonyms
672276-47-011(benzylsulfanyl)25dihydro1Hspiro(benzo(h)(124)triazolo(43c)quinazoline41cyclohexane)1thione
672276470
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C5=NNC(=S)N5C(=N4)SCC6=CC=CC=C6
InChI=1SC25H24N4S2c30232827222021(2624(29(22)23)31161793141017)1912651118(19)1525(20)137281425h136912H2781316H2(H2830)
MFCD03805883
S=c1(nH)nc2n1c(SCc1ccccc1)nc1c2C2(CCCCC2)Cc2c1cccc2
ZINC000009044386
ZINC9044386
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