Vitas-M small molecule compound
5-(3-chloro-4-methoxyphenyl)-N-(octahydro-2H-quinolizin-1-ylmethyl)-1H-pyrazole-4-carboxamide
Catalog ID
STL476918
SMILES COc1ccc(cc1Cl)c1[nH]ncc1C(=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 C21H27ClN4O2 MW 402.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClN4O2/c1-28-19-8-7-14(11-17(19)22)20-16(13-24-25-20)21(27)23-12-15-5-4-10-26-9-3-2-6-18(15)26/h7-8,11,13,15,18H,2-6,9-10,12H2,1H3,(H,23,27)(H,24,25)InChIKey
LNQHBBQGMXBOHP-UHFFFAOYSA-NSynonyms
3(3chloro4methoxyphenyl)N(((1S9aR)octahydro1Hquinolizin1yl)methyl)1Hpyrazole4carboxamide
5(3chloro4methoxyphenyl)N(octahydro2Hquinolizin1ylmethyl)1Hpyrazole4carboxamide
COC1=C(C=C(C=C1)C2=C(C=NN2)C(=O)NCC3CCCN4C3CCCC4)Cl
COc1ccc(cc1Cl)c1(nH)ncc1C(=O)NCC1CCCN2C1CCCC2
COc1ccc(cc1Cl)c1n(nH)cc1C(=O)NC(C@H)1CCCN2(C@@H)1CCCC2
InChI=1SC21H27ClN4O2c128198714(1117(19)22)2016(13242520)21(27)231215541026932618(15)26h7811131518H2691012H21H3(H2327)(H2425)
MFCD30835399
N(23467899aoctahydro1Hquinolizin1ylmethyl)5(3chloro4methoxyphenyl)1Hpyrazole4carboxamide
ZINC000217856423
ZINC000230208107
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