Vitas-M small molecule compound
{[4-methyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Catalog ID
STL199275
SMILES OC(=O)CSc1nnc(n1C)c1cccc(c1)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 C12H13N3O2S MW 263.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O2S/c1-8-4-3-5-9(6-8)11-13-14-12(15(11)2)18-7-10(16)17/h3-6H,7H2,1-2H3,(H,16,17)InChIKey
SUTNEWKWNLGTRH-UHFFFAOYSA-NSynonyms
((4methyl5(3methylphenyl)4H124triazol3yl)sulfanyl)aceticacid
(4METHYL5MTOLYL4H(124)TRIAZOL3YLSULFANYL)ACETICACID
2((4METHYL5(3METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETICACID
2((4METHYL5(3METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETICACID
2(4METHYL5(3METHYLPHENYL)124TRIAZOL3YLTHIO)ACETICACID
CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)O
InChI=1SC12H13N3O2Sc184359(68)11131412(15(11)2)18710(16)17h36H7H212H3(H1617)
MFCD02740714
ZINC000000422175
ZINC422175
Check stock
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Check stock on Vitas-MAvailable files
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