Vitas-M small molecule compound
4-chloro-3-{5-[(Z)-{3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid
Catalog ID
STK199971
SMILES O=C(CN1C(=O)S/C(=C\c2ccc(o2)c2cc(ccc2Cl)C(=O)O)/C1=O)Nc1ccc2c(c1)OCCO2
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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 C25H17ClN2O8S MW 540.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17ClN2O8S/c26-17-4-1-13(24(31)32)9-16(17)18-6-3-15(36-18)11-21-23(30)28(25(33)37-21)12-22(29)27-14-2-5-19-20(10-14)35-8-7-34-19/h1-6,9-11H,7-8,12H2,(H,27,29)(H,31,32)/b21-11-InChIKey
FPKYHJRRQMYMFX-NHDPSOOVSA-NSynonyms
4CHLORO3(5((Z)(3(2(23DIHYDRO14BENZODIOXIN6YLAMINO)2OXOETHYL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
C1COC2=C(O1)C=CC(=C2)NC(=O)CN3C(=O)C(=CC4=CC=C(O4)C5=C(C=CC(=C5)C(=O)O)Cl)SC3=O
InChI=1SC25H17ClN2O8Sc26174113(24(31)32)916(17)186315(3618)112123(30)28(25(33)3721)1222(29)2714251920(1014)35873419h16911H7812H2(H2729)(H3132)b2111
MFCD07138567
O=C(CN1C(=O)SC(=Cc2ccc(o2)c2cc(ccc2Cl)C(=O)O)C1=O)Nc1ccc2c(c1)OCCO2
ZINC000097961094
ZINC97961094
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