Vitas-M small molecule compound
(2Z)-3-[3-(benzyloxy)phenyl]-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Catalog ID
STL505117
SMILES OC(=O)/C(=C/c1cccc(c1)OCc1ccccc1)/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 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)11-15-8-5-9-16(10-15)25-12-14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,23,24)(H,20,21,22)/b17-11-InChIKey
JNLOXYZRNHIVHB-BOPFTXTBSA-NSynonyms
761407-73-2(~(Z))2((5methyl1~(H)124triazol3yl)sulfanyl)3(3phenylmethoxyphenyl)prop2enoicacid
(2Z)3(3(benzyloxy)phenyl)2((5methyl4H124triazol3yl)sulfanyl)prop2enoicacid
(Z)2((5METHYL1H124TRIAZOL3YL)SULFANYL)3(3PHENYLMETHOXYPHENYL)PROP2ENOICACID
(Z)3(3(benzyloxy)phenyl)2((5methyl4H124triazol3yl)thio)acrylicacid
7472241
761407732
InChI=1SC19H17N3O3Sc1132019(222113)2617(18(23)24)111585916(1015)2512146324714h211H12H21H3(H2324)(H202122)b1711
MFCD04017091
OC(=O)C(=Cc1cccc(c1)OCc1ccccc1)Sc1nnc((nH)1)C
ZINC000005047177
ZINC5047177
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