Vitas-M small molecule compound

methyl 2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK444159
SMILES COC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)F)sc2c1CCC(C2)C

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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 C20H20FNO3S MW 373.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FNO3S/c1-12-3-9-15-16(11-12)26-19(18(15)20(24)25-2)22-17(23)10-6-13-4-7-14(21)8-5-13/h4-8,10,12H,3,9,11H2,1-2H3,(H,22,23)/b10-6+
InChIKey
FVIYLBUYORQGBV-UXBLZVDNSA-N
Synonyms

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C=CC3=CC=C(C=C3)F
COC(=O)c1c(NC(=O)C=Cc2ccc(cc2)F)sc2c1CCC(C2)C
InChI=1SC20H20FNO3Sc112391516(1112)2619(18(15)20(24)252)2217(23)106134714(21)8513h481012H3911H212H3(H2223)b106+
methyl2(((2E)3(4fluorophenyl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)3(4fluorophenyl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD03388463
ZINC000001930449
ZINC000001930451

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Available files

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