Vitas-M small molecule compound

3-nitro-N-{2,2,2-trichloro-1-[(1R,9aR)-octahydro-2H-quinolizin-1-ylmethoxy]ethyl}benzamide

Catalog ID
STL527691
SMILES O=C(c1cccc(c1)[N+](=O)[O-])NC(C(Cl)(Cl)Cl)OC[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 C19H24Cl3N3O4 MW 464.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24Cl3N3O4/c20-19(21,22)18(23-17(26)13-5-3-7-15(11-13)25(27)28)29-12-14-6-4-10-24-9-2-1-8-16(14)24/h3,5,7,11,14,16,18H,1-2,4,6,8-10,12H2,(H,23,26)/t14-,16+,18?/m0/s1
InChIKey
JKQCVFYUZYSNEZ-QJZXMCBYSA-N
Synonyms
956978-78-2
~(N)(1(((1~(R)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methoxy)222trichloroethyl)3nitrobenzamide
3nitroN(222trichloro1(((1R9aR)octahydro1Hquinolizin1yl)methoxy)ethyl)benzamide
3nitroN(222trichloro1((1R9aR)octahydro2Hquinolizin1ylmethoxy)ethyl)benzamide
6353451
956978782
InChI=1SC19H24Cl3N3O4c2019(2122)18(2317(26)1353715(1113)25(27)28)291214641024921816(14)24h35711141618H124681012H2(H2326)t1416+18?m0s1
MFCD03660451
O=C(c1cccc(c1)(N+)(=O)(O))NC(C(Cl)(Cl)Cl)OC(C@@H)1CCCN2(C@@H)1CCCC2
ZINC000008914404
ZINC000008914405

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Available files

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