Vitas-M small molecule compound
4-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenyl 3-methyl-1-benzofuran-2-carboxylate
Catalog ID
STK703073
SMILES CCOc1cc(ccc1OC(=O)c1oc2c(c1C)cccc2)/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 C29H23NO5S2 MW 529.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23NO5S2/c1-3-33-24-15-20(16-25-27(31)30(29(36)37-25)17-19-9-5-4-6-10-19)13-14-23(24)35-28(32)26-18(2)21-11-7-8-12-22(21)34-26/h4-16H,3,17H2,1-2H3/b25-16-InChIKey
FWHYLCCYBIDIMZ-XYGWBWBKSA-NSynonyms
(4((Z)(3BENZYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2ETHOXYPHENYL)3METHYL1BENZOFURAN2CARBOXYLATE
(E)4((3benzyl4oxo2thioxothiazolidin5ylidene)methyl)2ethoxyphenyl3methylbenzofuran2carboxylate
4((Z)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)2ethoxyphenyl3methyl1benzofuran2carboxylate
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3)OC(=O)C4=C(C5=CC=CC=C5O4)C
CCOc1cc(ccc1OC(=O)c1oc2c(c1C)cccc2)C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC29H23NO5S2c1333241520(162527(31)30(29(36)3725)171995461019)131423(24)3528(32)2618(2)2111781222(21)3426h416H317H212H3b2516
MFCD03462031
ZINC000097946178
ZINC97946178
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