Vitas-M small molecule compound
3-({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid
Catalog ID
STK807895
SMILES OC(=O)CCSc1nnc(n1C)COc1ccc2c(c1)OCO2
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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 C14H15N3O5S MW 337.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N3O5S/c1-17-12(15-16-14(17)23-5-4-13(18)19)7-20-9-2-3-10-11(6-9)22-8-21-10/h2-3,6H,4-5,7-8H2,1H3,(H,18,19)InChIKey
QGVYQQHANJUTKP-UHFFFAOYSA-NSynonyms
3((5((13benzodioxol5yloxy)methyl)4methyl4H124triazol3yl)sulfanyl)propanoicacid
3((5(13BENZODIOXOL5YLOXYMETHYL)4METHYL124TRIAZOL3YL)SULFANYL)PROPANOICACID
3(5(2HBENZO(34D)13DIOXOLAN5YLOXYMETHYL)4METHYL124TRIAZOL3YLTHIO)PROPANOICACID
CN1C(=NN=C1SCCC(=O)O)COC2=CC3=C(C=C2)OCO3
InChI=1SC14H15N3O5Sc11712(151614(17)235413(18)19)7209231011(69)2282110h236H4578H21H3(H1819)
MFCD06750980
ZINC000004942547
ZINC4942547
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