Vitas-M small molecule compound

2-(3-propoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]

Catalog ID
STK556758
SMILES CCCOc1cccc(c1)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 C26H26N4O MW 410.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O/c1-2-14-31-20-10-7-9-18(15-20)24-28-25-22-23(27-17-30(25)29-24)21-11-4-3-8-19(21)16-26(22)12-5-6-13-26/h3-4,7-11,15,17H,2,5-6,12-14,16H2,1H3
InChIKey
KFLUKEMBARGZPQ-UHFFFAOYSA-N
Synonyms
573936-77-3
2(3propoxyphenyl)5Hspiro(benzo(h)(124)triazolo(15c)quinazoline41cyclopentane)
573936773
CCCOC1=CC=CC(=C1)C2=NN3C=NC4=C(C3=N2)C5(CCCC5)CC6=CC=CC=C64
InChI=1SC26H26N4Oc12143120107918(1520)2428252223(271730(25)2924)211143819(21)1626(22)12561326h347111517H256121416H21H3
MFCD04020160
ZINC000002207496
ZINC02207496
ZINC2207496

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.