Vitas-M small molecule compound
(2Z)-3-(3-hydroxy-4-methoxyphenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Catalog ID
STK137768
SMILES COc1ccc(cc1O)/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 C13H13N3O4S MW 307.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O4S/c1-7-14-13(16-15-7)21-11(12(18)19)6-8-3-4-10(20-2)9(17)5-8/h3-6,17H,1-2H3,(H,18,19)(H,14,15,16)/b11-6-InChIKey
HOBKRGISTAYLJG-WDZFZDKYSA-NSynonyms
(2Z)3(3HYDROXY4METHOXYPHENYL)2((5METHYL4H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
(Z)3(3HYDROXY4METHOXYPHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
CC1=NC(=NN1)SC(=CC2=CC(=C(C=C2)OC)O)C(=O)O
COc1ccc(cc1O)C=C(C(=O)O)Sc1nnc((nH)1)C
InChI=1SC13H13N3O4Sc171413(16157)2111(12(18)19)683410(202)9(17)58h3617H12H3(H1819)(H141516)b116
MFCD04489343
ZINC000004681586
ZINC4681586
Check stock
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Check stock on Vitas-MAvailable files
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