Vitas-M small molecule compound
2-[(5E)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-ethoxyphenyl)acetamide
Catalog ID
STL375623
SMILES CCOc1ccc(cc1)NC(=O)CN1C(=O)S/C(=C/c2cc(n(c2C)c2ccc3c(c2)OCO3)C)/C1=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 C27H25N3O6S MW 519.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O6S/c1-4-34-21-8-5-19(6-9-21)28-25(31)14-29-26(32)24(37-27(29)33)12-18-11-16(2)30(17(18)3)20-7-10-22-23(13-20)36-15-35-22/h5-13H,4,14-15H2,1-3H3,(H,28,31)/b24-12+InChIKey
AFSFAAKMWBUPTC-WYMPLXKRSA-NSynonyms
2((5E)5((1(13benzodioxol5yl)25dimethyl1Hpyrrol3yl)methylidene)24dioxo13thiazolidin3yl)N(4ethoxyphenyl)acetamide
2((5E)5((1(13BENZODIOXOL5YL)25DIMETHYLPYRROL3YL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)N(4ETHOXYPHENYL)ACETAMIDE
2(5((1(13BENZODIOXOL5YL)25DIMETHYL1HPYRROL3YL)METHYLENE)24DIOXO13THIAZOLIDIN3YL)N(4ETHOXYPHENYL)ACETAMIDE
CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC5=C(C=C4)OCO5)C)SC2=O
CCOc1ccc(cc1)NC(=O)CN1C(=O)SC(=Cc2cc(n(c2C)c2ccc3c(c2)OCO3)C)C1=O
InChI=1SC27H25N3O6Sc1434218519(6921)2825(31)142926(32)24(3727(29)33)12181116(2)30(17(18)3)207102223(1320)36153522h513H41415H213H3(H2831)b2412+
MFCD03864206
ZINC000001006022
ZINC01006022
ZINC1006022
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.