Vitas-M small molecule compound
2-[(5E)-5-{3-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-1H-isoindole-1,3(2H)-dione
Catalog ID
STK041655
SMILES COc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)N1C(=O)c2c(C1=O)cccc2
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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 C26H17N3O7S2 MW 547.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17N3O7S2/c1-35-21-12-16(8-11-20(21)36-14-15-6-9-17(10-7-15)29(33)34)13-22-25(32)28(26(37)38-22)27-23(30)18-4-2-3-5-19(18)24(27)31/h2-13H,14H2,1H3/b22-13+InChIKey
SYCGGISILDZIRC-LPYMAVHISA-NSynonyms
2((5E)5((3methoxy4((4nitrophenyl)methoxy)phenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)isoindole13dione
2((5E)5(3METHOXY4((4NITROBENZYL)OXY)BENZYLIDENE)4OXO2THIOXO13THIAZOLIDIN3YL)1HISOINDOLE13(2H)DIONE
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)N3C(=O)C4=CC=CC=C4C3=O)OCC5=CC=C(C=C5)(N+)(=O)(O)
COc1cc(ccc1OCc1ccc(cc1)(N+)(=O)(O))C=C1SC(=S)N(C1=O)N1C(=O)c2c(C1=O)cccc2
InChI=1SC26H17N3O7S2c135211216(81120(21)3614156917(10715)29(33)34)132225(32)28(26(37)3822)2723(30)18423519(18)24(27)31h213H14H21H3b2213+
MFCD02614904
STK041655
ZINC000033355527
ZINC33355527
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