Vitas-M small molecule compound
3-{[5-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid
Catalog ID
STK807783
SMILES COc1ccc(cc1)n1c(SCCC(=O)O)nnc1c1ccc(c(c1)OC)OC
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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 C20H21N3O5S MW 415.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O5S/c1-26-15-7-5-14(6-8-15)23-19(21-22-20(23)29-11-10-18(24)25)13-4-9-16(27-2)17(12-13)28-3/h4-9,12H,10-11H2,1-3H3,(H,24,25)InChIKey
WCNNQKHDHOOIPR-UHFFFAOYSA-NSynonyms
868213-44-93((5(34DIMETHOXYPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)PROPANOICACID
3((5(34dimethoxyphenyl)4(4methoxyphenyl)4H124triazol3yl)sulfanyl)propanoicacid
3((5(34DIMETHOXYPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)THIO)PROPANOICACID
3(5(34DIMETHOXYPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YLTHIO)PROPANOICACID
868213449
COC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)C3=CC(=C(C=C3)OC)OC
InChI=1SC20H21N3O5Sc126157514(6815)2319(212220(23)29111018(24)25)134916(272)17(1213)283h4912H1011H213H3(H2425)
MFCD05885191
ZINC000002710171
ZINC2710171
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