Vitas-M small molecule compound
(2E)-3-(3-nitrophenyl)-N-{[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl}prop-2-enamide
Catalog ID
STK184370
SMILES S=C(Nc1ccc(cc1)c1nc2c(o1)cccn2)NC(=O)/C=C/c1cccc(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 C22H15N5O4S MW 445.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15N5O4S/c28-19(11-6-14-3-1-4-17(13-14)27(29)30)25-22(32)24-16-9-7-15(8-10-16)21-26-20-18(31-21)5-2-12-23-20/h1-13H,(H2,24,25,28,32)/b11-6+InChIKey
HUDVSZGTGGXXHY-IZZDOVSWSA-NSynonyms
(2E)3(3NITROPHENYL)N((4((13)OXAZOLO(45B)PYRIDIN2YL)PHENYL)CARBAMOTHIOYL)PROP2ENAMIDE
(E)3(3NITROPHENYL)N((4((13)OXAZOLO(45B)PYRIDIN2YL)PHENYL)CARBAMOTHIOYL)PROP2ENAMIDE
C1=CC(=CC(=C1)(N+)(=O)(O))C=CC(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC=N4
InChI=1SC22H15N5O4Sc2819(1161431417(1314)27(29)30)2522(32)24169715(81016)21262018(3121)52122320h113H(H224252832)b116+
MFCD03138413
S=C(Nc1ccc(cc1)c1nc2c(o1)cccn2)NC(=O)C=Cc1cccc(c1)(N+)(=O)(O)
ZINC000009906544
ZINC09906544
ZINC9906544
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