Vitas-M small molecule compound

(2E)-3-(3,4-dimethoxyphenyl)-N-[3-nitro-5-(pyridin-2-ylsulfanyl)phenyl]prop-2-enamide

Catalog ID
STK316316
SMILES COc1ccc(cc1OC)/C=C/C(=O)Nc1cc(Sc2ccccn2)cc(c1)[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 C22H19N3O5S MW 437.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O5S/c1-29-19-8-6-15(11-20(19)30-2)7-9-21(26)24-16-12-17(25(27)28)14-18(13-16)31-22-5-3-4-10-23-22/h3-14H,1-2H3,(H,24,26)/b9-7+
InChIKey
FKDLMUHUJVTKRK-VQHVLOKHSA-N
Synonyms
444927-83-7
(2E)3(34dimethoxyphenyl)N(3nitro5(pyridin2ylsulfanyl)phenyl)prop2enamide
(E)3(34DIMETHOXYPHENYL)N(3NITRO5PYRIDIN2YLSULFANYLPHENYL)PROP2ENAMIDE
3(34DIMETHOXYPHENYL)N(3NITRO5(2PYRIDINYLSULFANYL)PHENYL)ACRYLAMIDE
444927837
COC1=C(C=C(C=C1)C=CC(=O)NC2=CC(=CC(=C2)SC3=CC=CC=N3)(N+)(=O)(O))OC
COc1ccc(cc1OC)C=CC(=O)Nc1cc(Sc2ccccn2)cc(c1)(N+)(=O)(O)
InChI=1SC22H19N3O5Sc129198615(1120(19)302)7921(26)24161217(25(27)28)1418(1316)3122534102322h314H12H3(H2426)b97+
MFCD03071056
ZINC000000667651
ZINC00667651
ZINC667651

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Available files

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