Vitas-M small molecule compound

[(5E)-5-(3-methoxy-4-{2-[(2-methoxyphenyl)amino]-2-oxoethoxy}benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid

Catalog ID
STL428582
SMILES COc1cc(ccc1OCC(=O)Nc1ccccc1OC)/C=C\1/SC(=S)N(C1=O)CC(=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 C22H20N2O7S2 MW 488.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O7S2/c1-29-15-6-4-3-5-14(15)23-19(25)12-31-16-8-7-13(9-17(16)30-2)10-18-21(28)24(11-20(26)27)22(32)33-18/h3-10H,11-12H2,1-2H3,(H,23,25)(H,26,27)/b18-10+
InChIKey
QPCRRHHPCXHNPK-VCHYOVAHSA-N
Synonyms

((5E)5(3methoxy4(2((2methoxyphenyl)amino)2oxoethoxy)benzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5((3METHOXY4(2(2METHOXYANILINO)2OXOETHOXY)PHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
COC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)CC(=O)O)OC
COc1cc(ccc1OCC(=O)Nc1ccccc1OC)C=C1SC(=S)N(C1=O)CC(=O)O
InChI=1SC22H20N2O7S2c12915643514(15)2319(25)1231168713(917(16)302)101821(28)24(1120(26)27)22(32)3318h310H1112H212H3(H2325)(H2627)b1810+
MFCD03722721
ZINC000015012063
ZINC15012063

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Available files

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