Vitas-M small molecule compound
(2Z)-3-(3-bromo-4-methylphenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Catalog ID
STK699488
SMILES Cc1nnc([nH]1)S/C(=C\c1ccc(c(c1)Br)C)/C(=O)O
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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 C13H12BrN3O2S MW 354.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12BrN3O2S/c1-7-3-4-9(5-10(7)14)6-11(12(18)19)20-13-15-8(2)16-17-13/h3-6H,1-2H3,(H,18,19)(H,15,16,17)/b11-6-InChIKey
DRYZHALZLBVSMK-WDZFZDKYSA-NSynonyms
585560-18-5(2Z)3(3bromo4methylphenyl)2((5methyl4H124triazol3yl)sulfanyl)prop2enoicacid
(Z)3(3BROMO4METHYLPHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
(Z)3(3bromo4methylphenyl)2((5methyl4H124triazol3yl)thio)acrylicacid
585560185
CC1=C(C=C(C=C1)C=C(C(=O)O)SC2=NNC(=N2)C)Br
Cc1nnc((nH)1)SC(=Cc1ccc(c(c1)Br)C)C(=O)O
InChI=1SC13H12BrN3O2Sc17349(510(7)14)611(12(18)19)2013158(2)161713h36H12H3(H1819)(H151617)b116
MFCD04028409
ZINC000009318810
ZINC9318810
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