Vitas-M small molecule compound

ethyl 4-cyano-3-methyl-5-({[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]acetyl}amino)thiophene-2-carboxylate

Catalog ID
STL477303
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)Cc1nnc([nH]1)c1ccccn1

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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 C18H16N6O3S MW 396.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N6O3S/c1-3-27-18(26)15-10(2)11(9-19)17(28-15)22-14(25)8-13-21-16(24-23-13)12-6-4-5-7-20-12/h4-7H,3,8H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKey
UCTSUKZHNJZEFX-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C(=C(S1)NC(=O)CC2=NC(=NN2)C3=CC=CC=N3)C#N)C
CCOC(=O)c1sc(c(c1C)C#N)NC(=O)Cc1nnc((nH)1)c1ccccn1
ethyl4cyano3methyl5(((5(pyridin2yl)4H124triazol3yl)acetyl)amino)thiophene2carboxylate
ethyl4cyano3methyl5((2(3pyridin2yl1H124triazol5yl)acetyl)amino)thiophene2carboxylate
InChI=1SC18H16N6O3Sc132718(26)1510(2)11(919)17(2815)2214(25)8132116(242313)1264572012h47H38H212H3(H2225)(H212324)
MFCD30713158
ZINC000334161118

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Available files

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