Vitas-M small molecule compound

ethyl 4-cyano-3-methyl-5-({[(5-{(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)thiophene-2-carboxylate

Catalog ID
STL168449
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CSc1nnc([nH]1)N/N=C/c1ccc(o1)C

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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 C19H19N7O4S2 MW 473.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N7O4S2/c1-4-29-17(28)15-11(3)13(7-20)16(32-15)22-14(27)9-31-19-23-18(25-26-19)24-21-8-12-6-5-10(2)30-12/h5-6,8H,4,9H2,1-3H3,(H,22,27)(H2,23,24,25,26)/b21-8+
InChIKey
YLZHLHQJDHGQGE-ODCIPOBUSA-N
Synonyms
724735-52-8
724735528
CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NNC(=N2)NN=CC3=CC=C(O3)C)C#N)C
CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CSc1nnc((nH)1)NN=Cc1ccc(o1)C
ethyl4cyano3methyl5((((5((2E)2((5methylfuran2yl)methylidene)hydrazinyl)4H124triazol3yl)sulfanyl)acetyl)amino)thiophene2carboxylate
ethyl4cyano3methyl5((2((5((2E)2((5methylfuran2yl)methylidene)hydrazinyl)1H124triazol3yl)sulfanyl)acetyl)amino)thiophene2carboxylate
InChI=1SC19H19N7O4S2c142917(28)1511(3)13(720)16(3215)2214(27)931192318(252619)24218126510(2)3012h568H49H213H3(H2227)(H223242526)b218+
MFCD03582937
ZINC000020167969
ZINC35669809

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Available files

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