Vitas-M small molecule compound

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

Catalog ID
STK411688
SMILES COC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)F)sc2c1CCCC2

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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 C19H18FNO3S MW 359.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18FNO3S/c1-24-19(23)17-14-4-2-3-5-15(14)25-18(17)21-16(22)11-8-12-6-9-13(20)10-7-12/h6-11H,2-5H2,1H3,(H,21,22)/b11-8+
InChIKey
RBFQPAFQLKSZLB-DHZHZOJOSA-N
Synonyms

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC3=CC=C(C=C3)F
COC(=O)c1c(NC(=O)C=Cc2ccc(cc2)F)sc2c1CCCC2
InChI=1SC19H18FNO3Sc12419(23)1714423515(14)2518(17)2116(22)118126913(20)10712h611H25H21H3(H2122)b118+
methyl2(((2E)3(4fluorophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)3(4fluorophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01247552
ZINC000000827278
ZINC00827278
ZINC827278

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Available files

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