Vitas-M small molecule compound
ethyl 2-chloro-5-{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}benzoate
Catalog ID
STL380924
SMILES CCOC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C/1\SC(=O)N(C1=O)CC(=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 C27H21ClN2O8S MW 568.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN2O8S/c1-2-35-26(33)18-11-15(3-6-19(18)28)20-8-5-17(38-20)13-23-25(32)30(27(34)39-23)14-24(31)29-16-4-7-21-22(12-16)37-10-9-36-21/h3-8,11-13H,2,9-10,14H2,1H3,(H,29,31)/b23-13-InChIKey
NTNANLFOOAPXCE-QRVIBDJDSA-NSynonyms
CCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=O)N(C(=O)S3)CC(=O)NC4=CC5=C(C=C4)OCCO5)Cl
CCOC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C1SC(=O)N(C1=O)CC(=O)Nc1ccc2c(c1)OCCO2
ethyl2chloro5(5((Z)(3(2(23dihydro14benzodioxin6ylamino)2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)furan2yl)benzoate
InChI=1SC27H21ClN2O8Sc123526(33)181115(3619(18)28)208517(3820)132325(32)30(27(34)3923)1424(31)2916472122(1216)371093621h381113H291014H21H3(H2931)b2313
MFCD05134136
ZINC000100365083
ZINC100365083
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