Vitas-M small molecule compound

ethyl 5-(1,3-benzodioxol-5-ylcarbamoyl)-2-{[(2-fluorophenyl)carbonyl]amino}-4-methylthiophene-3-carboxylate

Catalog ID
STK079789
SMILES CCOC(=O)c1c(sc(c1C)C(=O)Nc1ccc2c(c1)OCO2)NC(=O)c1ccccc1F

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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 C23H19FN2O6S MW 470.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19FN2O6S/c1-3-30-23(29)18-12(2)19(21(28)25-13-8-9-16-17(10-13)32-11-31-16)33-22(18)26-20(27)14-6-4-5-7-15(14)24/h4-10H,3,11H2,1-2H3,(H,25,28)(H,26,27)
InChIKey
XCKXTNMAIXOUAI-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4F
CCOC(=O)c1c(sc(c1C)C(=O)Nc1ccc2c(c1)OCO2)NC(=O)c1ccccc1F
ETHYL5((13BENZODIOXOL5YLAMINO)CARBONYL)2((2FLUOROBENZOYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL5(13BENZODIOXOL5YLCARBAMOYL)2(((2FLUOROPHENYL)CARBONYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL5(13BENZODIOXOL5YLCARBAMOYL)2((2FLUOROBENZOYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL5(N(2HBENZO(34D)13DIOXOLEN5YL)CARBAMOYL)2((2FLUOROPHENYL)CARBONYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC23H19FN2O6Sc133023(29)1812(2)19(21(28)2513891617(1013)32113116)3322(18)2620(27)14645715(14)24h410H311H212H3(H2528)(H2627)
MFCD01825179
STK079789
ZINC000000659309
ZINC00659309
ZINC659309

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.