Vitas-M small molecule compound
4-(5-{[(6-bromo-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
Catalog ID
STK667441
SMILES CCn1c(SCc2cc3OCOc3cc2Br)nnc1c1nonc1N
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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 C14H13BrN6O3S MW 425.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13BrN6O3S/c1-2-21-13(11-12(16)20-24-19-11)17-18-14(21)25-5-7-3-9-10(4-8(7)15)23-6-22-9/h3-4H,2,5-6H2,1H3,(H2,16,20)InChIKey
QCIGPMQAVRAPFJ-UHFFFAOYSA-NSynonyms
4(5(((6bromo13benzodioxol5yl)methyl)sulfanyl)4ethyl4H124triazol3yl)125oxadiazol3amine
4(5((6BROMO(2HBENZO(D)13DIOXOLAN5YL))METHYLTHIO)4ETHYL124TRIAZOL3YL)125OXADIAZOLE3YLAMINE
4(5((6BROMO13BENZODIOXOL5YL)METHYLSULFANYL)4ETHYL124TRIAZOL3YL)125OXADIAZOL3AMINE
CCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCO3)C4=NON=C4N
InChI=1SC14H13BrN6O3Sc122113(1112(16)20241911)171814(21)25573910(48(7)15)236229h34H256H21H3(H21620)
MFCD07658549
ZINC000012413693
ZINC12413693
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