Vitas-M small molecule compound

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

Catalog ID
STK960977
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2cnn(c2C)C)sc2c1CCC(C2)CC

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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 C21H27N3O3S MW 401.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3S/c1-5-14-7-9-16-17(11-14)28-20(19(16)21(26)27-6-2)23-18(25)10-8-15-12-22-24(4)13(15)3/h8,10,12,14H,5-7,9,11H2,1-4H3,(H,23,25)/b10-8+
InChIKey
AVJVQLJYWGXAKG-CSKARUKUSA-N
Synonyms
515850-31-4
515850314
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C=CC3=C(N(N=C3)C)C
CCOC(=O)c1c(NC(=O)C=Cc2cnn(c2C)C)sc2c1CCC(C2)CC
ethyl2(((2E)3(15dimethyl1Hpyrazol4yl)prop2enoyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)3(15dimethylpyrazol4yl)prop2enoyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H27N3O3Sc1514791617(1114)2820(19(16)21(26)2762)2318(25)10815122224(4)13(15)3h8101214H57911H214H3(H2325)b108+
MFCD02243640
ZINC000000656724
ZINC000000656729

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Available files

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