Vitas-M small molecule compound
4-(4-methylphenyl)-1-(propan-2-ylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK526789
SMILES CC(Sc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccc(cc1)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 C28H30N4OS MW 470.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4OS/c1-18(2)34-27-30-29-26-31(21-13-11-19(3)12-14-21)25(33)23-24(32(26)27)22-10-6-5-9-20(22)17-28(23)15-7-4-8-16-28/h5-6,9-14,18H,4,7-8,15-17H2,1-3H3InChIKey
VDBHXADMNVQAKV-UHFFFAOYSA-NSynonyms
372495-99-31(isopropylthio)4(ptolyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
372495993
4(4methylphenyl)1(propan2ylsulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SC(C)C
InChI=1SC28H30N4OSc118(2)342730292631(21131119(3)121421)25(33)2324(32(26)27)221065920(22)1728(23)157481628h5691418H4781517H213H3
MFCD01942995
ZINC000002276881
ZINC2276881
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