Vitas-M small molecule compound
4-(2-methoxyphenyl)-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
STK525887
SMILES C=CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1OC)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 C28H28N4O2S MW 484.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O2S/c1-3-17-35-27-30-29-26-31(21-13-7-8-14-22(21)34-2)25(33)23-24(32(26)27)20-12-6-5-11-19(20)18-28(23)15-9-4-10-16-28/h3,5-8,11-14H,1,4,9-10,15-18H2,2H3InChIKey
OIRIKAVQRGSORK-UHFFFAOYSA-NSynonyms
373370-25-31(allylthio)4(2methoxyphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
373370253
4(2methoxyphenyl)1(prop2en1ylsulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCC=C
InChI=1SC28H28N4O2Sc1317352730292631(2113781422(21)342)25(33)2324(32(26)27)2012651119(20)1828(23)1594101628h3581114H149101518H22H3
MFCD01945904
ZINC000002279594
ZINC2279594
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