Vitas-M small molecule compound
3-[(2-chloro-4-{(E)-[3-(1-methoxy-1-oxopropan-2-yl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK155293
SMILES COC(=O)C(N1C(=O)S/C(=C/c2ccc(c(c2)Cl)OCc2cccc(c2)C(=O)O)/C1=O)C
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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 C22H18ClNO7S MW 475.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClNO7S/c1-12(21(28)30-2)24-19(25)18(32-22(24)29)10-13-6-7-17(16(23)9-13)31-11-14-4-3-5-15(8-14)20(26)27/h3-10,12H,11H2,1-2H3,(H,26,27)/b18-10+InChIKey
ITKBXAIHQXETHP-VCHYOVAHSA-NSynonyms
3((2CHLORO4((E)(3(1METHOXY1OXOPROPAN2YL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CC(C(=O)OC)N1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)Cl)SC1=O
COC(=O)C(N1C(=O)SC(=Cc2ccc(c(c2)Cl)OCc2cccc(c2)C(=O)O)C1=O)C
InChI=1SC22H18ClNO7Sc112(21(28)302)2419(25)18(3222(24)29)10136717(16(23)913)31111443515(814)20(26)27h31012H11H212H3(H2627)b1810+
MFCD03923109
ZINC000009262580
ZINC000009262582
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