Vitas-M small molecule compound
(2E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Catalog ID
STK201375
SMILES COc1cc(/C=C(\C(=O)O)/Sc2nnc([nH]2)C)cc(c1O)Cl
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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 C13H12ClN3O4S MW 341.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12ClN3O4S/c1-6-15-13(17-16-6)22-10(12(19)20)5-7-3-8(14)11(18)9(4-7)21-2/h3-5,18H,1-2H3,(H,19,20)(H,15,16,17)/b10-5+InChIKey
FTYISDPMMHJDQF-BJMVGYQFSA-NSynonyms
(2E)3(3CHLORO4HYDROXY5METHOXYPHENYL)2((5METHYL4H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
(E)3(3CHLORO4HYDROXY5METHOXYPHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
CC1=NC(=NN1)SC(=CC2=CC(=C(C(=C2)Cl)O)OC)C(=O)O
COc1cc(C=C(C(=O)O)Sc2nnc((nH)2)C)cc(c1O)Cl
InChI=1SC13H12ClN3O4Sc161513(17166)2210(12(19)20)5738(14)11(18)9(47)212h3518H12H3(H1920)(H151617)b105+
MFCD04324248
ZINC000005955326
ZINC5955326
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