Vitas-M small molecule compound

diethyl 3-methyl-5-[({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]thiophene-2,4-dicarboxylate

Catalog ID
STL445482
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc([nH]2)c2ccncc2)sc(c1C)C(=O)OCC

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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 C20H21N5O5S2 MW 475.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O5S2/c1-4-29-18(27)14-11(3)15(19(28)30-5-2)32-17(14)22-13(26)10-31-20-23-16(24-25-20)12-6-8-21-9-7-12/h6-9H,4-5,10H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKey
HPWQIFJLNADPDU-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3
CCOC(=O)c1c(NC(=O)CSc2nnc((nH)2)c2ccncc2)sc(c1C)C(=O)OCC
DIETHYL3METHYL5((((5(4PYRIDINYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)24THIOPHENEDICARBOXYLATE
diethyl3methyl5((((5(pyridin4yl)4H124triazol3yl)sulfanyl)acetyl)amino)thiophene24dicarboxylate
DIETHYL3METHYL5((2((5PYRIDIN4YL1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)THIOPHENE24DICARBOXYLATE
InChI=1SC20H21N5O5S2c142918(27)1411(3)15(19(28)3052)3217(14)2213(26)1031202316(242520)1268219712h69H4510H213H3(H2226)(H232425)
MFCD04149594
ZINC000008430407
ZINC08430407
ZINC8430407

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Available files

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