Vitas-M small molecule compound

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

Catalog ID
STK960914
SMILES COC(=O)c1c(NC(=O)/C=C/c2cnn(c2C)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/c1-11-12(10-19-21(11)2)8-9-15(22)20-17-16(18(23)24-3)13-6-4-5-7-14(13)25-17/h8-10H,4-7H2,1-3H3,(H,20,22)/b9-8+
InChIKey
VUIUMXPGRJXTRI-CMDGGOBGSA-N
Synonyms
515850-03-0
515850030
CC1=C(C=NN1C)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC
COC(=O)c1c(NC(=O)C=Cc2cnn(c2C)C)sc2c1CCCC2
InChI=1SC18H21N3O3Sc11112(101921(11)2)8915(22)201716(18(23)243)13645714(13)2517h810H47H213H3(H2022)b98+
methyl2(((2E)3(15dimethyl1Hpyrazol4yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)3(15dimethylpyrazol4yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD02243490
ZINC000002769274
ZINC02769274
ZINC2769274

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Available files

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