Vitas-M small molecule compound

4-methoxy-N-{[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl}-3-nitrobenzamide

Catalog ID
STK051183
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1cc(ccc1C)c1nc2c(o1)cccn2

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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 C22H17N5O5S MW 463.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N5O5S/c1-12-5-6-14(21-25-19-18(32-21)4-3-9-23-19)10-15(12)24-22(33)26-20(28)13-7-8-17(31-2)16(11-13)27(29)30/h3-11H,1-2H3,(H2,24,26,28,33)
InChIKey
USLIEYCALXYIEE-UHFFFAOYSA-N
Synonyms
333739-14-3
(4METHOXY3NITROPHENYL)N(((2METHYL5(13OXAZOLO(45B)PYRIDIN2YL)PHENYL)AMINO)THIOXOMETHYL)CARBOXAMIDE
333739143
4METHOXYN((2METHYL5((13)OXAZOLO(45B)PYRIDIN2YL)PHENYL)CARBAMOTHIOYL)3NITROBENZAMIDE
4methoxyN((2methyl5(oxazolo(45b)pyridin2yl)phenyl)carbamothioyl)3nitrobenzamide
CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cc(ccc1C)c1nc2c(o1)cccn2
InChI=1SC22H17N5O5Sc1125614(21251918(3221)4392319)1015(12)2422(33)2620(28)137817(312)16(1113)27(29)30h311H12H3(H224262833)
MFCD02578135
N(3NITRO4METHOXYBENZOYL)N(2METHYL5(13)OXAZOLO(45B)PYRIDIN2YLPHENYL)THIOUREA
STK051183
ZINC000008441893
ZINC08441893
ZINC8441893

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Available files

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