Vitas-M small molecule compound
5-(3,4-dimethoxyphenyl)-N-(octahydro-2H-quinolizin-1-ylmethyl)-1H-pyrazole-3-carboxamide
Catalog ID
STL473626
SMILES COc1cc(ccc1OC)c1[nH]nc(c1)C(=O)NCC1CCCN2C1CCCC2
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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 C22H30N4O3 MW 398.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O3/c1-28-20-9-8-15(12-21(20)29-2)17-13-18(25-24-17)22(27)23-14-16-6-5-11-26-10-4-3-7-19(16)26/h8-9,12-13,16,19H,3-7,10-11,14H2,1-2H3,(H,23,27)(H,24,25)InChIKey
RIJIGURABGYWQG-UHFFFAOYSA-NSynonyms
3(34dimethoxyphenyl)N(((1S9aR)octahydro1Hquinolizin1yl)methyl)1Hpyrazole5carboxamide
5(34dimethoxyphenyl)N(octahydro2Hquinolizin1ylmethyl)1Hpyrazole3carboxamide
COC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)NCC3CCCN4C3CCCC4)OC
COc1cc(ccc1OC)c1(nH)nc(c1)C(=O)NCC1CCCN2C1CCCC2
COc1cc(ccc1OC)c1n(nH)c(c1)C(=O)NC(C@@H)1CCCN2(C@@H)1CCCC2
InChI=1SC22H30N4O3c128209815(1221(20)292)171318(252417)22(27)2314166511261043719(16)26h8912131619H37101114H212H3(H2327)(H2425)
MFCD27962828
N(23467899aoctahydro1Hquinolizin1ylmethyl)3(34dimethoxyphenyl)1Hpyrazole5carboxamide
ZINC000096115786
ZINC000170613834
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