Vitas-M small molecule compound
ethyl (5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158395
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc3OCOc3cc2[N+](=O)[O-])/C1=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 C21H16N2O7S MW 440.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O7S/c1-2-28-21(25)18-19(24)17(31-20(18)22-13-6-4-3-5-7-13)9-12-8-15-16(30-11-29-15)10-14(12)23(26)27/h3-10,22H,2,11H2,1H3/b17-9-InChIKey
AFJZMLNFVQBISR-MFOYZWKCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc3OCOc3cc2(N+)(=O)(O))C1=O
CCOC(=O)C1=C(SC(=CC2=CC3=C(C=C2(N+)(=O)(O))OCO3)C1=O)NC4=CC=CC=C4
ETHYL(5Z)2ANILINO5((6NITRO13BENZODIOXOL5YL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5((6NITRO13BENZODIOXOL5YL)METHYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC21H16N2O7Sc122821(25)1819(24)17(3120(18)22136435713)91281516(30112915)1014(12)23(26)27h31022H211H21H3b179
MFCD03136892
ZINC000006173523
ZINC06173523
ZINC6173523
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