Vitas-M small molecule compound
4-[(4-{(E)-[3-(1-ethoxy-1-oxopropan-2-yl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK152948
SMILES CCOC(=O)C(N1C(=O)S/C(=C/c2ccc(cc2)OCc2ccc(cc2)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 C23H21NO7S MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21NO7S/c1-3-30-22(28)14(2)24-20(25)19(32-23(24)29)12-15-6-10-18(11-7-15)31-13-16-4-8-17(9-5-16)21(26)27/h4-12,14H,3,13H2,1-2H3,(H,26,27)/b19-12+InChIKey
DOPDOXGVVPXXDS-XDHOZWIPSA-NSynonyms
4((4((E)(3(1ETHOXY1OXOPROPAN2YL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CCOC(=O)C(C)N1C(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)SC1=O
CCOC(=O)C(N1C(=O)SC(=Cc2ccc(cc2)OCc2ccc(cc2)C(=O)O)C1=O)C
InChI=1SC23H21NO7Sc133022(28)14(2)2420(25)19(3223(24)29)121561018(11715)3113164817(9516)21(26)27h41214H313H212H3(H2627)b1912+
MFCD03269996
ZINC000009260996
ZINC000009260998
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