Vitas-M small molecule compound
methyl {4-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenoxy}acetate
Catalog ID
STK382271
SMILES CCOc1cc(ccc1OCC(=O)OC)/C=C\1/SC(=S)N(C1=O)Cc1ccccc1
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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 C22H21NO5S2 MW 443.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5S2/c1-3-27-18-11-16(9-10-17(18)28-14-20(24)26-2)12-19-21(25)23(22(29)30-19)13-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3/b19-12+InChIKey
XEBDXICTABNSOF-XDHOZWIPSA-NSynonyms
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3)OCC(=O)OC
CCOc1cc(ccc1OCC(=O)OC)C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC22H21NO5S2c1327181116(91017(18)281420(24)262)121921(25)23(22(29)3019)13157546815h412H31314H212H3b1912+
methyl(4((E)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)2ethoxyphenoxy)acetate
METHYL2(2ETHOXY4((4OXO3BENZYL2THIOXO(13THIAZOLIDIN5YLIDENE))METHYL)PHENOXY)ACETATE
METHYL2(4((E)(3BENZYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2ETHOXYPHENOXY)ACETATE
MFCD02630480
ZINC000001151662
ZINC01151662
ZINC1151662
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