Vitas-M small molecule compound
ethyl [(5-oxo-4-phenyl-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-1-yl)sulfanyl]acetate
Catalog ID
STK831365
SMILES CCOC(=O)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1)CCCC3
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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 C27H26N4O3S MW 486.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O3S/c1-2-34-21(32)17-35-26-29-28-25-30(19-11-4-3-5-12-19)24(33)22-23(31(25)26)20-13-7-6-10-18(20)16-27(22)14-8-9-15-27/h3-7,10-13H,2,8-9,14-17H2,1H3InChIKey
QCAFYMZSOLLJKQ-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NN=C2N1C3=C(C(=O)N2C4=CC=CC=C4)C5(CCCC5)CC6=CC=CC=C63
ethyl((5oxo4phenyl57dihydro4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)1yl)sulfanyl)acetate
ethyl2((5oxo4phenyl57dihydro4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)1yl)thio)acetate
InChI=1SC27H26N4O3Sc123421(32)17352629282530(19114351219)24(33)2223(31(25)26)2013761018(20)1627(22)14891527h371013H2891417H21H3
MFCD02234807
ZINC000002292931
ZINC2292931
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