Vitas-M small molecule compound

methyl (2Z)-[2-{[(4-nitrophenyl)carbonyl]amino}-4-oxo-1,3-thiazol-5(4H)-ylidene]ethanoate

Catalog ID
STK042176
SMILES COC(=O)/C=C/1\SC(=NC1=O)NC(=O)c1ccc(cc1)[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 C13H9N3O6S MW 335.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9N3O6S/c1-22-10(17)6-9-12(19)15-13(23-9)14-11(18)7-2-4-8(5-3-7)16(20)21/h2-6H,1H3,(H,14,15,18,19)/b9-6-
InChIKey
UTODPWYRIGEOFQ-TWGQIWQCSA-N
Synonyms
396722-13-7
(Z)methyl2(2(4nitrobenzamido)4oxothiazol5(4H)ylidene)acetate
396722137
COC(=O)C=C1C(=O)N=C(S1)NC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
COC(=O)C=C1SC(=NC1=O)NC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC13H9N3O6Sc12210(17)6912(19)1513(239)1411(18)7248(537)16(20)21h26H1H3(H14151819)b96
METHYL(2Z)(2(((4NITROPHENYL)CARBONYL)AMINO)4OXO13THIAZOL5(4H)YLIDENE)ETHANOATE
METHYL(2Z)2(2((4NITROBENZOYL)AMINO)4OXO13THIAZOL5YLIDENE)ACETATE
MFCD01956832
STK042176
ZINC000004616822
ZINC04616822
ZINC17027766
ZINC4616822

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Available files

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