Vitas-M small molecule compound

5-(2-methoxyphenyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-1H-pyrazole-4-carboxamide

Catalog ID
STL543415
SMILES COc1ccccc1c1[nH]ncc1C(=O)NC[C@@H]1CCCN2[C@@H]1CCCC2

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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 C21H28N4O2 MW 368.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O2/c1-27-19-10-3-2-8-16(19)20-17(14-23-24-20)21(26)22-13-15-7-6-12-25-11-5-4-9-18(15)25/h2-3,8,10,14-15,18H,4-7,9,11-13H2,1H3,(H,22,26)(H,23,24)/t15-,18+/m0/s1
InChIKey
IAYAIOGPSRUBPC-MAUKXSAKSA-N
Synonyms

~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)5(2methoxyphenyl)1~(H)pyrazole4carboxamide
3(2methoxyphenyl)N(((1S9aR)octahydro1Hquinolizin1yl)methyl)1Hpyrazole4carboxamide
5(2methoxyphenyl)N((1S9aR)octahydro2Hquinolizin1ylmethyl)1Hpyrazole4carboxamide
99992726
COc1ccccc1c1n(nH)cc1C(=O)NC(C@H)1CCCN2(C@@H)1CCCC2
InChI=1SC21H28N4O2c127191032816(19)2017(14232420)21(26)2213157612251154918(15)25h23810141518H4791113H21H3(H2226)(H2324)t1518+m0s1
ZINC000217810824
ZINC217810824

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Available files

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