Vitas-M small molecule compound
4-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 2,4-dichlorobenzoate
Catalog ID
STL365333
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1Cl)Cl)/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 C25H17Cl2NO4S2 MW 530.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17Cl2NO4S2/c1-31-21-11-16(7-10-20(21)32-24(30)18-9-8-17(26)13-19(18)27)12-22-23(29)28(25(33)34-22)14-15-5-3-2-4-6-15/h2-13H,14H2,1H3/b22-12+InChIKey
YRSUOJDNVDASEO-WSDLNYQXSA-NSynonyms
(4((E)(3benzyl4oxo2sulfanylidene13thiazolidin5ylidene)methyl)2methoxyphenyl)24dichlorobenzoate
4((E)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenyl24dichlorobenzoate
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl
COc1cc(ccc1OC(=O)c1ccc(cc1Cl)Cl)C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC25H17Cl2NO4S2c131211116(71020(21)3224(30)189817(26)1319(18)27)122223(29)28(25(33)3422)14155324615h213H14H21H3b2212+
MFCD09223090
ZINC000100299659
ZINC100299659
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