Vitas-M small molecule compound
ethyl {[7-oxo-12-(2-oxopentyl)-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl]sulfanyl}acetate
Catalog ID
STL236879
SMILES CCCC(=O)Cn1c2nnc(n2c(=O)c2c1c1ccccc1CC12CCCC1)SCC(=O)OCC
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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 C26H30N4O4S MW 494.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O4S/c1-3-9-18(31)15-29-22-19-11-6-5-10-17(19)14-26(12-7-8-13-26)21(22)23(33)30-24(29)27-28-25(30)35-16-20(32)34-4-2/h5-6,10-11H,3-4,7-9,12-16H2,1-2H3InChIKey
BPQWYAWDBYVARW-UHFFFAOYSA-NSynonyms
844453-94-7844453947
CCCC(=O)CN1C2=C(C(=O)N3C1=NN=C3SCC(=O)OCC)C4(CCCC4)CC5=CC=CC=C52
ethyl((7oxo12(2oxopentyl)712dihydro5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclopentan)9yl)sulfanyl)acetate
ethyl2((7oxo12(2oxopentyl)712dihydro5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclopentan)9yl)thio)acetate
InChI=1SC26H30N4O4Sc13918(31)1529221911651017(19)1426(12781326)21(22)23(33)3024(29)272825(30)351620(32)3442h561011H34791216H212H3
MFCD04156041
ZINC000002401275
ZINC02401275
ZINC2401275
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