Vitas-M small molecule compound
3-[(5E)-5-{4-[(3-carboxybenzyl)oxy]-3-chloro-5-methoxybenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid
Catalog ID
STK111530
SMILES COc1cc(cc(c1OCc1cccc(c1)C(=O)O)Cl)/C=C\1/SC(=S)N(C1=O)c1cccc(c1)C(=O)O
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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 C26H18ClNO7S2 MW 556.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18ClNO7S2/c1-34-20-10-15(9-19(27)22(20)35-13-14-4-2-5-16(8-14)24(30)31)11-21-23(29)28(26(36)37-21)18-7-3-6-17(12-18)25(32)33/h2-12H,13H2,1H3,(H,30,31)(H,32,33)/b21-11+InChIKey
YIOSFXSVRSOZQF-SRZZPIQSSA-NSynonyms
3((4((E)(3(3CARBOXYPHENYL)4KETO2THIOXOTHIAZOLIDIN5YLIDENE)METHYL)2CHLORO6METHOXYPHENOXY)METHYL)BENZOICACID
3((4((E)(3(3CARBOXYPHENYL)4OXIDANYLIDENE2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2CHLORANYL6METHOXYPHENOXY)METHYL)BENZOICACID
3((4((E)(3(3CARBOXYPHENYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2CHLORO6METHOXYPHENOXY)METHYL)BENZOICACID
3((4((E)(3(3CARBOXYPHENYL)4OXO2SULFANYLIDENE5THIAZOLIDINYLIDENE)METHYL)2CHLORO6METHOXYPHENOXY)METHYL)BENZOICACID
3((5E)5(4((3CARBOXYBENZYL)OXY)3CHLORO5METHOXYBENZYLIDENE)4OXO2THIOXO13THIAZOLIDIN3YL)BENZOICACID
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O)Cl)OCC4=CC=CC(=C4)C(=O)O
COc1cc(cc(c1OCc1cccc(c1)C(=O)O)Cl)C=C1SC(=S)N(C1=O)c1cccc(c1)C(=O)O
InChI=1SC26H18ClNO7S2c134201015(919(27)22(20)35131442516(814)24(30)31)112123(29)28(26(36)3721)1873617(1218)25(32)33h212H13H21H3(H3031)(H3233)b2111+
MFCD04127759
ZINC000066129120
ZINC66129120
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