Vitas-M small molecule compound
4-(3-methoxyphenyl)-1-thioxo-2,4-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK566332
SMILES COc1cccc(c1)n1c(=O)c2c(n3c1n[nH]c3=S)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 C25H24N4O2S MW 444.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O2S/c1-31-18-10-7-9-17(14-18)28-22(30)20-21(29-23(28)26-27-24(29)32)19-11-4-3-8-16(19)15-25(20)12-5-2-6-13-25/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,27,32)InChIKey
HNRDJSPVGLZYHK-UHFFFAOYSA-NSynonyms
4(3methoxyphenyl)1thioxo24dihydro1Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NNC6=S
COc1cccc(c1)n1c(=O)c2c(n3c1n(nH)c3=S)c1ccccc1CC12CCCCC1
InChI=1SC25H24N4O2Sc13118107917(1418)2822(30)2021(2923(28)262724(29)32)191143816(19)1525(20)125261325h3471114H256121315H21H3(H2732)
MFCD03807881
ZINC000002296996
ZINC2296996
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