Vitas-M small molecule compound

(2E)-1-(4-{4-nitro-3-[(pyridin-3-ylmethyl)amino]phenyl}piperazin-1-yl)-3-phenylprop-2-en-1-one

Catalog ID
STK119250
SMILES O=C(N1CCN(CC1)c1ccc(c(c1)NCc1cccnc1)[N+](=O)[O-])/C=C/c1ccccc1

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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 C25H25N5O3 MW 443.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O3/c31-25(11-8-20-5-2-1-3-6-20)29-15-13-28(14-16-29)22-9-10-24(30(32)33)23(17-22)27-19-21-7-4-12-26-18-21/h1-12,17-18,27H,13-16,19H2/b11-8+
InChIKey
MARBNQYSMBNFIJ-DHZHZOJOSA-N
Synonyms
591726-89-5
(2E)1(4(4NITRO3((PYRIDIN3YLMETHYL)AMINO)PHENYL)PIPERAZIN1YL)3PHENYLPROP2EN1ONE
(E)1(4(4nitro3((pyridin3ylmethyl)amino)phenyl)piperazin1yl)3phenylprop2en1one
(E)1(4(4NITRO3(PYRIDIN3YLMETHYLAMINO)PHENYL)PIPERAZIN1YL)3PHENYLPROP2EN1ONE
591726895
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))NCC3=CN=CC=C3)C(=O)C=CC4=CC=CC=C4
InChI=1SC25H25N5O3c3125(118205213620)29151328(141629)2291024(30(32)33)23(1722)2719217412261821h112171827H131619H2b118+
MFCD03686365
O=C(N1CCN(CC1)c1ccc(c(c1)NCc1cccnc1)(N+)(=O)(O))C=Cc1ccccc1
ZINC000009008991
ZINC09008991
ZINC9008991

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Available files

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