Vitas-M small molecule compound
4-(4-methoxyphenyl)-1-(propan-2-ylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK832886
SMILES COc1ccc(cc1)n1c(=O)c2c(n3c1nnc3SC(C)C)c1ccccc1CC12CCCCC1
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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 C28H30N4O2S MW 486.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O2S/c1-18(2)35-27-30-29-26-31(20-11-13-21(34-3)14-12-20)25(33)23-24(32(26)27)22-10-6-5-9-19(22)17-28(23)15-7-4-8-16-28/h5-6,9-14,18H,4,7-8,15-17H2,1-3H3InChIKey
IZRLAIPQWMWETH-UHFFFAOYSA-NSynonyms
374098-58-51(isopropylthio)4(4methoxyphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
374098585
4(4methoxyphenyl)1(propan2ylsulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CC(C)SC1=NN=C2N1C3=C(C(=O)N2C4=CC=C(C=C4)OC)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC28H30N4O2Sc118(2)352730292631(20111321(343)141220)25(33)2324(32(26)27)221065919(22)1728(23)157481628h5691418H4781517H213H3
MFCD01952051
ZINC000010014000
ZINC10014000
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