Vitas-M small molecule compound
(5Z)-3-(4-methoxybenzyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL369330
SMILES COc1ccc(cc1)CN1C(=S)S/C(=C\c2ccc(o2)c2ccccc2[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 C22H16N2O5S2 MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N2O5S2/c1-28-15-8-6-14(7-9-15)13-23-21(25)20(31-22(23)30)12-16-10-11-19(29-16)17-4-2-3-5-18(17)24(26)27/h2-12H,13H2,1H3/b20-12-InChIKey
CBAWULYTDRLNRL-NDENLUEZSA-NSynonyms
(5Z)3((4METHOXYPHENYL)METHYL)5((5(2NITROPHENYL)FURAN2YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3(4methoxybenzyl)5((5(2nitrophenyl)furan2yl)methylidene)2thioxo13thiazolidin4one
COC1=CC=C(C=C1)CN2C(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4(N+)(=O)(O))SC2=S
COc1ccc(cc1)CN1C(=S)SC(=Cc2ccc(o2)c2ccccc2(N+)(=O)(O))C1=O
InChI=1SC22H16N2O5S2c128158614(7915)132321(25)20(3122(23)30)1216101119(2916)17423518(17)24(26)27h212H13H21H3b2012
MFCD03705186
ZINC000001167122
ZINC01167122
ZINC1167122
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