Vitas-M small molecule compound
2-methyl-N-{[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl}-3-nitrobenzamide
Catalog ID
STK347339
SMILES S=C(NC(=O)c1cccc(c1C)[N+](=O)[O-])Nc1ccc(cc1C)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 C22H17N5O4S MW 447.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N5O4S/c1-12-11-14(21-25-19-18(31-21)7-4-10-23-19)8-9-16(12)24-22(32)26-20(28)15-5-3-6-17(13(15)2)27(29)30/h3-11H,1-2H3,(H2,24,26,28,32)InChIKey
CUXNMXKSXJIMHO-UHFFFAOYSA-NSynonyms
2methylN((2methyl4((13)oxazolo(45b)pyridin2yl)phenyl)carbamothioyl)3nitrobenzamide
CC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC=N3)NC(=S)NC(=O)C4=C(C(=CC=C4)(N+)(=O)(O))C
InChI=1SC22H17N5O4Sc1121114(21251918(3121)74102319)8916(12)2422(32)2620(28)1553617(13(15)2)27(29)30h311H12H3(H224262832)
MFCD06761420
S=C(NC(=O)c1cccc(c1C)(N+)(=O)(O))Nc1ccc(cc1C)c1nc2c(o1)cccn2
ZINC000016282716
ZINC16282716
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