Vitas-M small molecule compound
ethyl [(4-benzyl-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
STK831344
SMILES CCOC(=O)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)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 C29H30N4O3S MW 514.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O3S/c1-2-36-23(34)19-37-28-31-30-27-32(18-20-11-5-3-6-12-20)26(35)24-25(33(27)28)22-14-8-7-13-21(22)17-29(24)15-9-4-10-16-29/h3,5-8,11-14H,2,4,9-10,15-19H2,1H3InChIKey
BQELRJDHOTXBDY-UHFFFAOYSA-NSynonyms
374082-85-6374082856
CCOC(=O)CSC1=NN=C2N1C3=C(C(=O)N2CC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63
ethyl((4benzyl5oxo57dihydro4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)1yl)sulfanyl)acetate
ethyl2((4benzyl5oxo57dihydro4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)1yl)thio)acetate
InChI=1SC29H30N4O3Sc123623(34)19372831302732(1820115361220)26(35)2425(33(27)28)2214871321(22)1729(24)1594101629h3581114H249101519H21H3
MFCD01949640
ZINC000002282225
ZINC2282225
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