Vitas-M small molecule compound
4-({4-[4-(3-methoxypropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzyl}oxy)benzoic acid
Catalog ID
STK311358
SMILES COCCCn1c(S)nnc1c1ccc(cc1)COc1ccc(cc1)C(=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 C20H21N3O4S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4S/c1-26-12-2-11-23-18(21-22-20(23)28)15-5-3-14(4-6-15)13-27-17-9-7-16(8-10-17)19(24)25/h3-10H,2,11-13H2,1H3,(H,22,28)(H,24,25)InChIKey
PRIATIOALCAENS-UHFFFAOYSA-NSynonyms
832145-15-04((4(4(3METHOXYPROPYL)5SULFANYL124TRIAZOL3YL)PHENYL)METHOXY)BENZOICACID
4((4(4(3methoxypropyl)5sulfanyl4H124triazol3yl)benzyl)oxy)benzoicacid
4((4(4(3methoxypropyl)5sulfanylidene1H124triazol3yl)phenyl)methoxy)benzoicacid
832145150
COCCCN1C(=NNC1=S)C2=CC=C(C=C2)COC3=CC=C(C=C3)C(=O)O
InChI=1SC20H21N3O4Sc126122112318(212220(23)28)155314(4615)1327179716(81017)19(24)25h310H21113H21H3(H2228)(H2425)
MFCD04137659
ZINC000002809149
ZINC2809149
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