Vitas-M small molecule compound
2-(4-butoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Catalog ID
STK555018
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2
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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 C27H28N4O MW 424.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O/c1-2-3-16-32-21-12-10-19(11-13-21)25-29-26-23-24(28-18-31(26)30-25)22-9-5-4-8-20(22)17-27(23)14-6-7-15-27/h4-5,8-13,18H,2-3,6-7,14-17H2,1H3InChIKey
LRSGKAARGDWTMN-UHFFFAOYSA-NSynonyms
840497-10-12(4butoxyphenyl)5Hspiro(benzo(h)(124)triazolo(15c)quinazoline41cyclopentane)
840497101
CCCCOC1=CC=C(C=C1)C2=NN3C=NC4=C(C3=N2)C5(CCCC5)CC6=CC=CC=C64
InChI=1SC27H28N4Oc123163221121019(111321)2529262324(281831(26)3025)22954820(22)1727(23)14671527h4581318H23671417H21H3
MFCD04008316
ZINC000005100541
ZINC05100541
ZINC5100541
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