Vitas-M small molecule compound
ethyl (5Z)-2-[(4-chlorophenyl)amino]-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK001521
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)Cl)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 C21H15ClN2O7S MW 474.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN2O7S/c1-2-29-21(26)18-19(25)17(32-20(18)23-13-5-3-12(22)4-6-13)8-11-7-15-16(31-10-30-15)9-14(11)24(27)28/h3-9,23H,2,10H2,1H3/b17-8-InChIKey
JFSQXUJSCRSTRT-IUXPMGMMSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)Cl)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=C(C=C4)Cl
ETHYL(5Z)2((4CHLOROPHENYL)AMINO)5((6NITRO13BENZODIOXOL5YL)METHYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(4CHLOROANILINO)5((6NITRO13BENZODIOXOL5YL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC21H15ClN2O7Sc122921(26)1819(25)17(3220(18)23135312(22)4613)81171516(31103015)914(11)24(27)28h3923H210H21H3b178
MFCD03711608
STK001521
ZINC000008916034
ZINC08916034
ZINC8916034
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