Vitas-M small molecule compound
4-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]phenyl 3-nitrobenzoate
Catalog ID
STK821720
SMILES COc1cc(CCN2C(=S)S/C(=C\c3ccc(cc3)OC(=O)c3cccc(c3)[N+](=O)[O-])/C2=O)ccc1OC
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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 C27H22N2O7S2 MW 550.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O7S2/c1-34-22-11-8-18(14-23(22)35-2)12-13-28-25(30)24(38-27(28)37)15-17-6-9-21(10-7-17)36-26(31)19-4-3-5-20(16-19)29(32)33/h3-11,14-16H,12-13H2,1-2H3/b24-15-InChIKey
VYRDZAMJIMYDML-IWIPYMOSSA-NSynonyms
(4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)3nitrobenzoate
4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl3nitrobenzoate
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O))SC2=S)OC
COc1cc(CCN2C(=S)SC(=Cc3ccc(cc3)OC(=O)c3cccc(c3)(N+)(=O)(O))C2=O)ccc1OC
InChI=1SC27H22N2O7S2c1342211818(1423(22)352)12132825(30)24(3827(28)37)15176921(10717)3626(31)1943520(1619)29(32)33h3111416H1213H212H3b2415
MFCD03462969
ZINC000101331162
ZINC101331162
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