Vitas-M small molecule compound

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

Catalog ID
STK331663
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2cnn(c2)C)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 C18H21N3O3S MW 359.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O3S/c1-3-24-18(23)16-13-6-4-5-7-14(13)25-17(16)20-15(22)9-8-12-10-19-21(2)11-12/h8-11H,3-7H2,1-2H3,(H,20,22)/b9-8+
InChIKey
BBCNMYUMIRAUGP-CMDGGOBGSA-N
Synonyms
515857-35-9
515857359
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC3=CN(N=C3)C
CCOC(=O)c1c(NC(=O)C=Cc2cnn(c2)C)sc2c1CCCC2
ethyl2(((2E)3(1methyl1Hpyrazol4yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)3(1methylpyrazol4yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC18H21N3O3Sc132418(23)1613645714(13)2517(16)2015(22)9812101921(2)1112h811H37H212H3(H2022)b98+
MFCD02243778
ZINC000000656680
ZINC00656680
ZINC656680

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Available files

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