Vitas-M small molecule compound
(5E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK861807
SMILES COc1cc(CCN2C(=S)S/C(=C/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 C20H18N2O5S2 MW 430.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5S2/c1-26-16-7-6-13(11-17(16)27-2)8-9-21-19(23)18(29-20(21)28)12-14-4-3-5-15(10-14)22(24)25/h3-7,10-12H,8-9H2,1-2H3/b18-12+InChIKey
VUTRZRBGTZNAGK-LDADJPATSA-NSynonyms
5873-95-0(5E)3(2(34DIMETHOXYPHENYL)ETHYL)5((3NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)3(2(34dimethoxyphenyl)ethyl)5(3nitrobenzylidene)2thioxo13thiazolidin4one
5873950
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=CC(=CC=C3)(N+)(=O)(O))SC2=S)OC
COc1cc(CCN2C(=S)SC(=Cc3cccc(c3)(N+)(=O)(O))C2=O)ccc1OC
InChI=1SC20H18N2O5S2c126167613(1117(16)272)892119(23)18(2920(21)28)121443515(1014)22(24)25h371012H89H212H3b1812+
MFCD01458929
ZINC000001189931
ZINC000015684832
ZINC15684832
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