Vitas-M small molecule compound

(2Z)-3-{3-[(4-chlorobenzyl)oxy]phenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate

Catalog ID
STL052632
SMILES Clc1ccc(cc1)COc1cccc(c1)/C=C(/C(=O)[O-])\Sc1[nH]nc([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 C19H16ClN3O3S MW 401.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClN3O3S/c1-12-21-19(23-22-12)27-17(18(24)25)10-14-3-2-4-16(9-14)26-11-13-5-7-15(20)8-6-13/h2-10H,11H2,1H3,(H,24,25)(H,21,22,23)/b17-10-
InChIKey
NOQPIWMLWXNCMA-YVLHZVERSA-N
Synonyms
757196-77-3
757196773
Clc1ccc(cc1)COc1cccc(c1)C=C(C(=O)(O))Sc1(nH)nc((nH+)1)C
MFCD05733946
ZINC000006129889

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.