Vitas-M small molecule compound
(5E)-5-{3-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL427795
SMILES C=CCN1C(=S)S/C(=C/c2ccc(c(c2)OC)OCc2ccc(cc2)[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 C21H18N2O5S2 MW 442.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5S2/c1-3-10-22-20(24)19(30-21(22)29)12-15-6-9-17(18(11-15)27-2)28-13-14-4-7-16(8-5-14)23(25)26/h3-9,11-12H,1,10,13H2,2H3/b19-12+InChIKey
YTDHDOJJHDFMJA-XDHOZWIPSA-NSynonyms
(5E)5((3METHOXY4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)5(3methoxy4((4nitrobenzyl)oxy)benzylidene)3(prop2en1yl)2thioxo13thiazolidin4one
C=CCN1C(=S)SC(=Cc2ccc(c(c2)OC)OCc2ccc(cc2)(N+)(=O)(O))C1=O
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)OCC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC21H18N2O5S2c13102220(24)19(3021(22)29)12156917(18(1115)272)2813144716(8514)23(25)26h391112H11013H22H3b1912+
MFCD00763683
ZINC000003097680
ZINC03097680
ZINC3097680
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