Vitas-M small molecule compound

(2Z)-3-{2-[(2-cyanobenzyl)oxy]phenyl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid

Catalog ID
STK727947
SMILES N#Cc1ccccc1COc1ccccc1/C=C(/C(=O)O)\Sc1nnc([nH]1)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 C20H16N4O3S MW 392.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O3S/c1-13-22-20(24-23-13)28-18(19(25)26)10-14-6-4-5-9-17(14)27-12-16-8-3-2-7-15(16)11-21/h2-10H,12H2,1H3,(H,25,26)(H,22,23,24)/b18-10-
InChIKey
XMPFXOHXZFDPAT-ZDLGFXPLSA-N
Synonyms
842957-34-0
(2Z)3(2((2cyanobenzyl)oxy)phenyl)2((5methyl4H124triazol3yl)sulfanyl)prop2enoicacid
(Z)3(2((2cyanobenzyl)oxy)phenyl)2((5methyl4H124triazol3yl)thio)acrylicacid
(Z)3(2((2CYANOPHENYL)METHOXY)PHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
842957340
CC1=NC(=NN1)SC(=CC2=CC=CC=C2OCC3=CC=CC=C3C#N)C(=O)O
InChI=1SC20H16N4O3Sc1132220(242313)2818(19(25)26)1014645917(14)271216832715(16)1121h210H12H21H3(H2526)(H222324)b1810
MFCD04012173
N#Cc1ccccc1COc1ccccc1C=C(C(=O)O)Sc1nnc((nH)1)C
ZINC000005348232
ZINC5348232

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Available files

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