Vitas-M small molecule compound
4-(3-methylphenyl)-1-(prop-2-en-1-ylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK833506
SMILES C=CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1cccc(c1)C)CCCCC3
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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 C28H28N4OS MW 468.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4OS/c1-3-16-34-27-30-29-26-31(21-12-9-10-19(2)17-21)25(33)23-24(32(26)27)22-13-6-5-11-20(22)18-28(23)14-7-4-8-15-28/h3,5-6,9-13,17H,1,4,7-8,14-16,18H2,2H3InChIKey
QTUBNCYVKNNYLE-UHFFFAOYSA-NSynonyms
374104-53-71(allylthio)4(mtolyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
374104537
4(3methylphenyl)1(prop2en1ylsulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCC=C
InChI=1SC28H28N4OSc1316342730292631(211291019(2)1721)25(33)2324(32(26)27)2213651120(22)1828(23)147481528h35691317H1478141618H22H3
MFCD01953375
ZINC000002286420
ZINC2286420
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