Vitas-M small molecule compound
methyl 5-{5-[(E)-{3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}-2-chlorobenzoate
Catalog ID
STL380699
SMILES COC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C\1/SC(=O)N(C1=O)CC(=O)Nc1ccc2c(c1)OCO2
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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/c1-33-24(31)16-8-13(2-5-17(16)26)18-7-4-15(36-18)10-21-23(30)28(25(32)37-21)11-22(29)27-14-3-6-19-20(9-14)35-12-34-19/h2-10H,11-12H2,1H3,(H,27,29)/b21-10+InChIKey
JYXDZPGZSTXVRW-UFFVCSGVSA-NSynonyms
COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=O)N(C(=O)S3)CC(=O)NC4=CC5=C(C=C4)OCO5)Cl
COC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C1SC(=O)N(C1=O)CC(=O)Nc1ccc2c(c1)OCO2
InChI=1SC25H17ClN2O8Sc13324(31)16813(2517(16)26)187415(3618)102123(30)28(25(32)3721)1122(29)2714361920(914)35123419h210H1112H21H3(H2729)b2110+
methyl5(5((E)(3(2(13benzodioxol5ylamino)2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)furan2yl)2chlorobenzoate
MFCD03905866
ZINC000100343748
ZINC100343748
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