Vitas-M small molecule compound

(2E,5E)-5-(4,5-dimethoxy-2-nitrobenzylidene)-2-[(4-ethoxyphenyl)imino]-1,3-thiazolidin-4-one

Catalog ID
STK157909
SMILES CCOc1ccc(cc1)/N=C/1\NC(=O)/C(=C\c2cc(OC)c(cc2[N+](=O)[O-])OC)/S1

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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 C20H19N3O6S MW 429.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O6S/c1-4-29-14-7-5-13(6-8-14)21-20-22-19(24)18(30-20)10-12-9-16(27-2)17(28-3)11-15(12)23(25)26/h5-11H,4H2,1-3H3,(H,21,22,24)/b18-10+
InChIKey
YNCYZLXVUPPSET-VCHYOVAHSA-N
Synonyms

(2E5E)5(45DIMETHOXY2NITROBENZYLIDENE)2((4ETHOXYPHENYL)IMINO)13THIAZOLIDIN4ONE
(5E)5((45DIMETHOXY2NITROPHENYL)METHYLIDENE)2(4ETHOXYANILINO)13THIAZOL4ONE
5((45DIMETHOXY2NITROPHENYL)METHYLENE)2((4ETHOXYPHENYL)AZAMETHYLENE)13THIAZOLIDIN4ONE
CCOC1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC(=C(C=C3(N+)(=O)(O))OC)OC)S2
CCOc1ccc(cc1)N=C1NC(=O)C(=Cc2cc(OC)c(cc2(N+)(=O)(O))OC)S1
InChI=1SC20H19N3O6Sc1429147513(6814)21202219(24)18(3020)1012916(272)17(283)1115(12)23(25)26h511H4H213H3(H212224)b1810+
MFCD03649038
ZINC000014008668
ZINC14008668

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Available files

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