Vitas-M small molecule compound
4-methyl-1-(propadienylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK835747
SMILES C=C=CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2C)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 C22H22N4OS MW 390.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4OS/c1-3-13-28-21-24-23-20-25(2)19(27)17-18(26(20)21)16-10-6-5-9-15(16)14-22(17)11-7-4-8-12-22/h5-6,9-10,13H,1,4,7-8,11-12,14H2,2H3InChIKey
MGLZSAKOYDYPQJ-UHFFFAOYSA-NSynonyms
4methyl1(propa12dien1ylthio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4methyl1(propadienylsulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N5C1=NN=C5SC=C=C
InChI=1SC22H22N4OSc1313282124232025(2)19(27)1718(26(20)21)161065915(16)1422(17)117481222h5691013H1478111214H22H3
MFCD02233686
ZINC000001760268
ZINC1760268
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