Vitas-M small molecule compound
{[4-ammonio-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Catalog ID
STK568927
SMILES COc1cc(ccc1OC)c1nnc(n1[NH3+])SCC(=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 C12H14N4O4S MW 310.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N4O4S/c1-19-8-4-3-7(5-9(8)20-2)11-14-15-12(16(11)13)21-6-10(17)18/h3-5H,6,13H2,1-2H3,(H,17,18)InChIKey
VUKKWOOYNBTJTR-UHFFFAOYSA-NSynonyms
738604-72-3((4ammonio5(34dimethoxyphenyl)4H124triazol3yl)sulfanyl)acetate
2((4AMINO5(34DIMETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETICACID
2((4AZANIUMYL5(34DIMETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETATE
738604723
COC1=C(C=C(C=C1)C2=NN=C(N2(NH3+))SCC(=O)(O))OC
COc1cc(ccc1OC)c1nnc(n1(NH3+))SCC(=O)(O)
InChI=1SC12H14N4O4Sc1198437(59(8)202)11141512(16(11)13)21610(17)18h35H613H212H3(H1718)
MFCD04009988
ZINC000000525004
ZINC525004
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