Vitas-M small molecule compound
methyl 4-{3-[(E)-{3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Catalog ID
STL411924
SMILES COC(=O)c1ccc(cc1)n1c(C)cc(c1C)/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 C27H23N3O7S MW 533.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O7S/c1-15-10-18(16(2)30(15)20-7-4-17(5-8-20)26(33)35-3)11-23-25(32)29(27(34)38-23)13-24(31)28-19-6-9-21-22(12-19)37-14-36-21/h4-12H,13-14H2,1-3H3,(H,28,31)/b23-11+InChIKey
ULEQBFPCSIBXAS-FOKLQQMPSA-NSynonyms
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=C3C(=O)N(C(=O)S3)CC(=O)NC4=CC5=C(C=C4)OCO5
COC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=C1SC(=O)N(C1=O)CC(=O)Nc1ccc2c(c1)OCO2
InChI=1SC27H23N3O7Sc1151018(16(2)30(15)207417(5820)26(33)353)112325(32)29(27(34)3823)1324(31)2819692122(1219)37143621h412H1314H213H3(H2831)b2311+
methyl4(3((E)(3(2(13benzodioxol5ylamino)2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoate
methyl4(3((E)(3(2(13benzodioxol5ylamino)2oxoethyl)24dioxo13thiazolidin5ylidene)methyl)25dimethylpyrrol1yl)benzoate
MFCD07433654
ZINC000100405240
ZINC100405240
Check stock
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Check stock on Vitas-MAvailable files
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