Vitas-M small molecule compound
(2E)-3-[2-(benzyloxy)phenyl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STL057503
SMILES [O-]C(=O)/C(=C\c1ccccc1OCc1ccccc1)/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 C19H17N3O3S MW 367.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O3S/c1-13-20-19(22-21-13)26-17(18(23)24)11-15-9-5-6-10-16(15)25-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,23,24)(H,20,21,22)/b17-11+InChIKey
DOAFYOMCGBIBHZ-GZTJUZNOSA-NSynonyms
573948-45-5(2E)3(2(benzyloxy)phenyl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(E)2((5METHYL1H124TRIAZOL3YL)SULFANYL)3(2PHENYLMETHOXYPHENYL)PROP2ENOICACID
(O)C(=O)C(=Cc1ccccc1OCc1ccccc1)Sc1(nH)nc((nH+)1)C
573948455
CC1=NC(=NN1)SC(=CC2=CC=CC=C2OCC3=CC=CC=C3)C(=O)O
InChI=1SC19H17N3O3Sc1132019(222113)2617(18(23)24)11159561016(15)2512147324814h211H12H21H3(H2324)(H202122)b1711+
MFCD05727607
ZINC000009356885
ZINC9356885
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