Vitas-M small molecule compound
ethyl (2Z)-5-amino-8-cyano-2-(3-nitrobenzylidene)-7-(3-nitrophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
Catalog ID
STL062212
SMILES CCOC(=O)C1=C(N)n2c(=C(C1c1cccc(c1)[N+](=O)[O-])C#N)s/c(=C\c1cccc(c1)[N+](=O)[O-])/c2=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 C24H17N5O7S MW 519.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17N5O7S/c1-2-36-24(31)20-19(14-6-4-8-16(11-14)29(34)35)17(12-25)23-27(21(20)26)22(30)18(37-23)10-13-5-3-7-15(9-13)28(32)33/h3-11,19H,2,26H2,1H3/b18-10-InChIKey
RJYQTBZUMXVLTG-ZDLGFXPLSA-NSynonyms
(E)ethyl5amino8cyano2(3nitrobenzylidene)7(3nitrophenyl)3oxo37dihydro2Hthiazolo(32a)pyridine6carboxylate
CCOC(=O)C1=C(N)n2c(=C(C1c1cccc(c1)(N+)(=O)(O))C#N)sc(=Cc1cccc(c1)(N+)(=O)(O))c2=O
CCOC(=O)C1=C(N2C(=C(C1C3=CC(=CC=C3)(N+)(=O)(O))C#N)SC(=CC4=CC(=CC=C4)(N+)(=O)(O))C2=O)N
ethyl(2Z)5amino8cyano2(3nitrobenzylidene)7(3nitrophenyl)3oxo23dihydro7H(13)thiazolo(32a)pyridine6carboxylate
ETHYL(2Z)5AMINO8CYANO7(3NITROPHENYL)2((3NITROPHENYL)METHYLIDENE)3OXO7H(13)THIAZOLO(32A)PYRIDINE6CARBOXYLATE
InChI=1SC24H17N5O7Sc123624(31)2019(1464816(1114)29(34)35)17(1225)2327(21(20)26)22(30)18(3723)101353715(913)28(32)33h31119H226H21H3b1810
MFCD01789391
ZINC000001873495
ZINC000001873497
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