Vitas-M small molecule compound
(2E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STL041548
SMILES COc1c(Cl)cc(cc1OC)/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 C14H14ClN3O4S MW 355.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14ClN3O4S/c1-7-16-14(18-17-7)23-11(13(19)20)6-8-4-9(15)12(22-3)10(5-8)21-2/h4-6H,1-3H3,(H,19,20)(H,16,17,18)/b11-6+InChIKey
BUSAXRDUZUMFLO-IZZDOVSWSA-NSynonyms
679824-43-2(2E)3(3chloro45dimethoxyphenyl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(E)3(3CHLORO45DIMETHOXYPHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
679824432
CC1=NC(=NN1)SC(=CC2=CC(=C(C(=C2)Cl)OC)OC)C(=O)O
COc1c(Cl)cc(cc1OC)C=C(C(=O)(O))Sc1(nH)nc((nH+)1)C
InChI=1SC14H14ClN3O4Sc171614(18177)2311(13(19)20)6849(15)12(223)10(58)212h46H13H3(H1920)(H161718)b116+
MFCD05732337
ZINC000009356816
ZINC9356816
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