Vitas-M small molecule compound
{[5-(4-methoxybenzyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Catalog ID
STL182670
SMILES COc1ccc(cc1)Cc1nnc(n1CC=C)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 C15H17N3O3S MW 319.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N3O3S/c1-3-8-18-13(16-17-15(18)22-10-14(19)20)9-11-4-6-12(21-2)7-5-11/h3-7H,1,8-10H2,2H3,(H,19,20)InChIKey
RHLXYVDAJUMPIX-UHFFFAOYSA-NSynonyms
((5(4methoxybenzyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)aceticacid
2((5((4methoxyphenyl)methyl)4prop2enyl124triazol3yl)sulfanyl)aceticacid
COC1=CC=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)O
InChI=1SC15H17N3O3Sc1381813(161715(18)221014(19)20)9114612(212)7511h37H1810H22H3(H1920)
MFCD22385646
ZINC000072328134
ZINC72328134
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