Vitas-M small molecule compound
(2E)-3-(3-chloro-4-methoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STL053495
SMILES COc1ccc(cc1Cl)/C=C(\C(=O)[O-])/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 C13H12ClN3O3S MW 325.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12ClN3O3S/c1-7-15-13(17-16-7)21-11(12(18)19)6-8-3-4-10(20-2)9(14)5-8/h3-6H,1-2H3,(H,18,19)(H,15,16,17)/b11-6+InChIKey
FBZRXFULCLGBNP-IZZDOVSWSA-NSynonyms
573949-17-4(2E)3(3chloro4methoxyphenyl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(E)3(3CHLORO4METHOXYPHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
CC1=NC(=NN1)SC(=CC2=CC(=C(C=C2)OC)Cl)C(=O)O
COc1ccc(cc1Cl)C=C(C(=O)(O))Sc1(nH)nc((nH+)1)C
InChI=1SC13H12ClN3O3Sc171513(17167)2111(12(18)19)683410(202)9(14)58h36H12H3(H1819)(H151617)b116+
MFCD05724345
ZINC1269035
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