Vitas-M small molecule compound
ethyl (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK078994
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C\c2ccc3c(c2)OCO3)/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(10-12-3-8-15-16(9-12)30-11-29-15)31-20(18)22-13-4-6-14(7-5-13)23(26)27/h3-10,22H,2,11H2,1H3/b17-10-InChIKey
WQETXLPHXGAMSA-YVLHZVERSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)(N+)(=O)(O))SC(=Cc2ccc3c(c2)OCO3)C1=O
CCOC(=O)C1=C(SC(=CC2=CC3=C(C=C2)OCO3)C1=O)NC4=CC=C(C=C4)(N+)(=O)(O)
ETHYL(5Z)5(13BENZODIOXOL5YLMETHYLIDENE)2((4NITROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(13BENZODIOXOL5YLMETHYLIDENE)2(4NITROANILINO)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC21H16N2O7Sc122821(25)1819(24)17(1012381516(912)30112915)3120(18)22134614(7513)23(26)27h31022H211H21H3b1710
MFCD03032754
STK078994
ZINC000009635947
ZINC09635947
ZINC9635947
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