Vitas-M small molecule compound
methyl (5Z)-2-(naphthalen-1-ylamino)-5-(3-nitrobenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158517
SMILES COC(=O)C1=C(S/C(=C\c2cccc(c2)[N+](=O)[O-])/C1=O)Nc1cccc2c1cccc2
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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 C23H16N2O5S MW 432.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N2O5S/c1-30-23(27)20-21(26)19(13-14-6-4-9-16(12-14)25(28)29)31-22(20)24-18-11-5-8-15-7-2-3-10-17(15)18/h2-13,24H,1H3/b19-13-InChIKey
JMCZQEODIDOTNT-UYRXBGFRSA-NSynonyms
COC(=O)C1=C(SC(=CC2=CC(=CC=C2)(N+)(=O)(O))C1=O)NC3=CC=CC4=CC=CC=C43
COC(=O)C1=C(SC(=Cc2cccc(c2)(N+)(=O)(O))C1=O)Nc1cccc2c1cccc2
InChI=1SC23H16N2O5Sc13023(27)2021(26)19(131464916(1214)25(28)29)3122(20)24181158157231017(15)18h21324H1H3b1913
METHYL(5Z)2(NAPHTHALEN1YLAMINO)5((3NITROPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
METHYL(5Z)2(NAPHTHALEN1YLAMINO)5(3NITROBENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
MFCD08674913
ZINC000009721133
ZINC09721133
ZINC9721133
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