Vitas-M small molecule compound

(4E)-4-(5-nitro-2-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-1-phenylpyrazolidine-3,5-dione

Catalog ID
STK052533
SMILES C=CCc1ccccc1OCCOc1ccc(cc1/C=C/1\C(=O)NN(C1=O)c1ccccc1)[N+](=O)[O-]

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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 C27H23N3O6 MW 485.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O6/c1-2-8-19-9-6-7-12-24(19)35-15-16-36-25-14-13-22(30(33)34)17-20(25)18-23-26(31)28-29(27(23)32)21-10-4-3-5-11-21/h2-7,9-14,17-18H,1,8,15-16H2,(H,28,31)/b23-18+
InChIKey
SRJPTLINWYYKJR-PTGBLXJZSA-N
Synonyms

(4E)4((5NITRO2(2(2PROP2ENYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
(4E)4(5NITRO2(2(2(PROP2EN1YL)PHENOXY)ETHOXY)BENZYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
C=CCC1=CC=CC=C1OCCOC2=C(C=C(C=C2)(N+)(=O)(O))C=C3C(=O)NN(C3=O)C4=CC=CC=C4
C=CCc1ccccc1OCCOc1ccc(cc1C=C1C(=O)NN(C1=O)c1ccccc1)(N+)(=O)(O)
InChI=1SC27H23N3O6c128199671224(19)3515163625141322(30(33)34)1720(25)182326(31)2829(27(23)32)21104351121h279141718H181516H2(H2831)b2318+
MFCD02121548
STK052533
ZINC000013943718
ZINC13943718

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Available files

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