Vitas-M small molecule compound

ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate

Catalog ID
STK098123
SMILES CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc(c1C)C(=O)Nc1ccccc1F

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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)25-15-7-5-4-6-14(15)24)33-22(18)26-20(27)13-8-9-16-17(10-13)32-11-31-16/h4-10H,3,11H2,1-2H3,(H,25,28)(H,26,27)
InChIKey
KMUNBANUKSTNFW-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2F)NC(=O)C3=CC4=C(C=C3)OCO4
CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc(c1C)C(=O)Nc1ccccc1F
ETHYL2((13BENZODIOXOL5YLCARBONYL)AMINO)5((2FLUOROPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2(13BENZODIOXOLE5CARBONYLAMINO)5((2FLUOROPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2(2HBENZO(34D)13DIOXOLAN5YLCARBONYLAMINO)5(N(2FLUOROPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC23H19FN2O6Sc133023(29)1812(2)19(21(28)2515754614(15)24)3322(18)2620(27)13891617(1013)32113116h410H311H212H3(H2528)(H2627)
MFCD01975552
STK098123
ZINC000002967515
ZINC02967515
ZINC2967515

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Available files

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