Vitas-M small molecule compound

methyl (2Z)-5-amino-6-cyano-2-(3-nitrobenzylidene)-7-(3-nitrophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate

Catalog ID
STK790886
SMILES COC(=O)C1=c2s/c(=C\c3cccc(c3)[N+](=O)[O-])/c(=O)n2C(=C(C1c1cccc(c1)[N+](=O)[O-])C#N)N

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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 C23H15N5O7S MW 505.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15N5O7S/c1-35-23(30)19-18(13-5-3-7-15(10-13)28(33)34)16(11-24)20(25)26-21(29)17(36-22(19)26)9-12-4-2-6-14(8-12)27(31)32/h2-10,18H,25H2,1H3/b17-9-
InChIKey
VVEHXXIJCBDXEY-MFOYZWKCSA-N
Synonyms

(E)methyl5amino6cyano2(3nitrobenzylidene)7(3nitrophenyl)3oxo37dihydro2Hthiazolo(32a)pyridine8carboxylate
COC(=O)C1=C2N(C(=C(C1C3=CC(=CC=C3)(N+)(=O)(O))C#N)N)C(=O)C(=CC4=CC(=CC=C4)(N+)(=O)(O))S2
COC(=O)C1=c2sc(=Cc3cccc(c3)(N+)(=O)(O))c(=O)n2C(=C(C1c1cccc(c1)(N+)(=O)(O))C#N)N
InChI=1SC23H15N5O7Sc13523(30)1918(1353715(1013)28(33)34)16(1124)20(25)2621(29)17(3622(19)26)91242614(812)27(31)32h21018H25H21H3b179
methyl(2Z)5amino6cyano2(3nitrobenzylidene)7(3nitrophenyl)3oxo23dihydro7H(13)thiazolo(32a)pyridine8carboxylate
methyl(2Z)5amino6cyano7(3nitrophenyl)2((3nitrophenyl)methylidene)3oxo7H(13)thiazolo(32a)pyridine8carboxylate
MFCD02061639
ZINC000001797388
ZINC000001797392

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Available files

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