Vitas-M small molecule compound
2-(4-butoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Catalog ID
STK553426
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2
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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 C28H30N4O MW 438.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O/c1-2-3-17-33-22-13-11-20(12-14-22)26-30-27-24-25(29-19-32(27)31-26)23-10-6-5-9-21(23)18-28(24)15-7-4-8-16-28/h5-6,9-14,19H,2-4,7-8,15-18H2,1H3InChIKey
CKEIDZLJQUDBJB-UHFFFAOYSA-NSynonyms
840460-81-32(4butoxyphenyl)5Hspiro(benzo(h)(124)triazolo(15c)quinazoline41cyclohexane)
840460813
CCCCOC1=CC=C(C=C1)C2=NN3C=NC4=C(C3=N2)C5(CCCCC5)CC6=CC=CC=C64
InChI=1SC28H30N4Oc123173322131120(121422)2630272425(291932(27)3126)231065921(23)1828(24)157481628h5691419H24781518H21H3
MFCD03695170
ZINC000002257943
ZINC02257943
ZINC2257943
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