Vitas-M small molecule compound

dimethyl 2-[({[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzene-1,4-dicarboxylate

Catalog ID
STK401152
SMILES COC(=O)c1ccc(cc1NC(=O)CSc1nnc(n1CC)c1cccnc1)C(=O)OC

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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 C21H21N5O5S MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O5S/c1-4-26-18(14-6-5-9-22-11-14)24-25-21(26)32-12-17(27)23-16-10-13(19(28)30-2)7-8-15(16)20(29)31-3/h5-11H,4,12H2,1-3H3,(H,23,27)
InChIKey
PSYWLWGDEKHCIF-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C3=CN=CC=C3
dimethyl2((((4ethyl5(pyridin3yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzene14dicarboxylate
dimethyl2((2((4ethyl5pyridin3yl124triazol3yl)sulfanyl)acetyl)amino)benzene14dicarboxylate
InChI=1SC21H21N5O5Sc142618(14659221114)242521(26)321217(27)23161013(19(28)302)7815(16)20(29)313h511H412H213H3(H2327)
METHYL3(2(4ETHYL5(3PYRIDYL)(124TRIAZOL3YLTHIO))ACETYLAMINO)4(METHOXYCARBONYL)BENZOATE
MFCD06074611
ZINC000010231039
ZINC10231039

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Available files

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