Vitas-M small molecule compound
(5Z)-3-ethyl-5-{2-[2-(3-methylphenoxy)ethoxy]-5-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK001647
SMILES CCN1C(=S)S/C(=C\c2cc(ccc2OCCOc2cccc(c2)C)[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 C21H20N2O5S2 MW 444.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5S2/c1-3-22-20(24)19(30-21(22)29)13-15-12-16(23(25)26)7-8-18(15)28-10-9-27-17-6-4-5-14(2)11-17/h4-8,11-13H,3,9-10H2,1-2H3/b19-13-InChIKey
NZKYICGJXODBOW-UYRXBGFRSA-NSynonyms
(5Z)3ETHYL5((2(2(3METHYLPHENOXY)ETHOXY)5NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3ETHYL5(2(2(3METHYLPHENOXY)ETHOXY)5NITROBENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CCN1C(=O)C(=CC2=C(C=CC(=C2)(N+)(=O)(O))OCCOC3=CC=CC(=C3)C)SC1=S
CCN1C(=S)SC(=Cc2cc(ccc2OCCOc2cccc(c2)C)(N+)(=O)(O))C1=O
InChI=1SC21H20N2O5S2c132220(24)19(3021(22)29)13151216(23(25)26)7818(15)28109271764514(2)1117h481113H3910H212H3b1913
MFCD03227528
STK001647
ZINC000008916049
ZINC08916049
ZINC8916049
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