Vitas-M small molecule compound
ethyl [(4-ethyl-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl)sulfanyl]acetate
Catalog ID
STK835197
SMILES CCOC(=O)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2CC)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 C24H28N4O3S MW 452.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4O3S/c1-3-27-21(30)19-20(28-22(27)25-26-23(28)32-15-18(29)31-4-2)17-11-7-6-10-16(17)14-24(19)12-8-5-9-13-24/h6-7,10-11H,3-5,8-9,12-15H2,1-2H3InChIKey
HMDHJIBJZORGOZ-UHFFFAOYSA-NSynonyms
CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N5C1=NN=C5SCC(=O)OCC
ethyl((4ethyl5oxo57dihydro4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)1yl)sulfanyl)acetate
ethyl2((4ethyl5oxo57dihydro4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)1yl)thio)acetate
InChI=1SC24H28N4O3Sc132721(30)1920(2822(27)252623(28)321518(29)3142)1711761016(17)1424(19)128591324h671011H35891215H212H3
MFCD02234185
ZINC000001158141
ZINC1158141
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