Vitas-M small molecule compound
4-ethyl-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK804972
SMILES CCn1c(=O)c2c(n3c1nnc3S)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 C20H22N4OS MW 366.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4OS/c1-2-23-17(25)15-16(24-18(23)21-22-19(24)26)14-9-5-4-8-13(14)12-20(15)10-6-3-7-11-20/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,22,26)InChIKey
DEQBYTRDRTXHTA-UHFFFAOYSA-NSynonyms
337488-01-4337488014
4ethyl1mercapto4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4ethyl1sulfanyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N5C1=NNC5=S
InChI=1SC20H22N4OSc122317(25)1516(2418(23)212219(24)26)14954813(14)1220(15)106371120h4589H23671012H21H3(H2226)
MFCD01909948
ZINC000005445048
ZINC5445048
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