Vitas-M small molecule compound
4-[(4-bromo-2-{(Z)-[2,4-dioxo-3-(propan-2-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK157433
SMILES Brc1ccc(c(c1)/C=C/1\SC(=O)N(C1=O)C(C)C)OCc1ccc(cc1)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 C21H18BrNO5S MW 476.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrNO5S/c1-12(2)23-19(24)18(29-21(23)27)10-15-9-16(22)7-8-17(15)28-11-13-3-5-14(6-4-13)20(25)26/h3-10,12H,11H2,1-2H3,(H,25,26)/b18-10-InChIKey
IWQMHABDCRAPMG-ZDLGFXPLSA-NSynonyms
4((4BROMO2((Z)(24DIOXO3(PROPAN2YL)13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((4BROMO2((Z)(24DIOXO3PROPAN2YL13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
Brc1ccc(c(c1)C=C1SC(=O)N(C1=O)C(C)C)OCc1ccc(cc1)C(=O)O
CC(C)N1C(=O)C(=CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)C(=O)O)SC1=O
InChI=1SC21H18BrNO5Sc112(2)2319(24)18(2921(23)27)1015916(22)7817(15)2811133514(6413)20(25)26h31012H11H212H3(H2526)b1810
MFCD06663079
ZINC000002099898
ZINC2099898
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