Vitas-M small molecule compound
(1-ethyl-4-nitro-1H-pyrazol-3-yl)[4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]methanone
Catalog ID
STK589881
SMILES COc1ccccc1C1N(CCC2(C1CCCC2)O)C(=O)c1nn(cc1[N+](=O)[O-])CC
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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 C22H28N4O5 MW 428.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O5/c1-3-24-14-17(26(29)30)19(23-24)21(27)25-13-12-22(28)11-7-6-9-16(22)20(25)15-8-4-5-10-18(15)31-2/h4-5,8,10,14,16,20,28H,3,6-7,9,11-13H2,1-2H3InChIKey
ARQCTSGZTDGSCV-UHFFFAOYSA-NSynonyms
1212349-91-1(1ethyl4nitro1Hpyrazol3yl)(4ahydroxy1(2methoxyphenyl)octahydroisoquinolin2(1H)yl)methanone
(4ahydroxy1(2methoxyphenyl)13456788aoctahydroisoquinolin2yl)(1ethyl4nitropyrazol3yl)methanone
1212349911
CCN1C=C(C(=N1)C(=O)N2CCC3(CCCCC3C2C4=CC=CC=C4OC)O)(N+)(=O)(O)
COc1ccccc1C1N(CCC2(C1CCCC2)O)C(=O)c1nn(cc1(N+)(=O)(O))CC
InChI=1SC22H28N4O5c13241417(26(29)30)19(2324)21(27)25131222(28)1176916(22)20(25)158451018(15)312h4581014162028H36791113H212H3
MFCD04171600
ZINC000009234280
ZINC000245324855
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