Vitas-M small molecule compound
4-(2-methylphenyl)-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK525433
SMILES Cc1ccccc1n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)S
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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/c1-16-9-3-6-12-19(16)28-22(30)20-21(29-23(28)26-27-24(29)31)18-11-5-4-10-17(18)15-25(20)13-7-2-8-14-25/h3-6,9-12H,2,7-8,13-15H2,1H3,(H,27,31)InChIKey
LYDHZJRDJVHOIQ-UHFFFAOYSA-NSynonyms
374548-17-11mercapto4(otolyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
374548171
4(2methylphenyl)1sulfanyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NNC6=S
InChI=1SC25H24N4OSc1169361219(16)2822(30)2021(2923(28)262724(29)31)1811541017(18)1525(20)137281425h36912H2781315H21H3(H2731)
MFCD01957065
ZINC000009339700
ZINC9339700
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