Vitas-M small molecule compound

{4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}[3-(propan-2-yloxy)phenyl]methanone

Catalog ID
STK158142
SMILES CNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)c1cccc(c1)OC(C)C

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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 C21H26N4O4 MW 398.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O4/c1-15(2)29-18-6-4-5-16(13-18)21(26)24-11-9-23(10-12-24)17-7-8-20(25(27)28)19(14-17)22-3/h4-8,13-15,22H,9-12H2,1-3H3
InChIKey
OEXKEDJCPQXROK-UHFFFAOYSA-N
Synonyms
593237-93-5
(3isopropoxyphenyl)(4(3(methylamino)4nitrophenyl)piperazin1yl)methanone
(4(3(METHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)(3(PROPAN2YLOXY)PHENYL)METHANONE
(4(3(METHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)(3PROPAN2YLOXYPHENYL)METHANONE
593237935
CC(C)OC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NC
CNc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C(=O)c1cccc(c1)OC(C)C
InChI=1SC21H26N4O4c115(2)291864516(1318)21(26)2411923(101224)177820(25(27)28)19(1417)223h48131522H912H213H3
MFCD03686604
ZINC000004688301
ZINC04688301
ZINC4688301

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Available files

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