Vitas-M small molecule compound
(5E)-5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Catalog ID
STK079170
SMILES CCOc1c(Cl)cc(cc1OC)/C=C\1/SC(=O)N(C1=O)Cc1cccc(c1)[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 C20H17ClN2O6S MW 448.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O6S/c1-3-29-18-15(21)8-13(9-16(18)28-2)10-17-19(24)22(20(25)30-17)11-12-5-4-6-14(7-12)23(26)27/h4-10H,3,11H2,1-2H3/b17-10+InChIKey
AURFFCAFAVVZSI-LICLKQGHSA-NSynonyms
(5E)5((3chloro4ethoxy5methoxyphenyl)methylidene)3((3nitrophenyl)methyl)13thiazolidine24dione
(5E)5(3CHLORO4ETHOXY5METHOXYBENZYLIDENE)3(3NITROBENZYL)13THIAZOLIDINE24DIONE
CCOC1=C(C=C(C=C1Cl)C=C2C(=O)N(C(=O)S2)CC3=CC(=CC=C3)(N+)(=O)(O))OC
CCOc1c(Cl)cc(cc1OC)C=C1SC(=O)N(C1=O)Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC20H17ClN2O6Sc13291815(21)813(916(18)282)101719(24)22(20(25)3017)111254614(712)23(26)27h410H311H212H3b1710+
MFCD04541041
STK079170
ZINC000009259466
ZINC09259466
ZINC9259466
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