Vitas-M small molecule compound
4-(5-{[(6-bromo-1,3-benzodioxol-5-yl)methyl]sulfonyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
Catalog ID
STK690186
SMILES CCn1c(nnc1S(=O)(=O)Cc1cc2OCOc2cc1Br)c1nonc1N
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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 C14H13BrN6O5S MW 457.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13BrN6O5S/c1-2-21-13(11-12(16)20-26-19-11)17-18-14(21)27(22,23)5-7-3-9-10(4-8(7)15)25-6-24-9/h3-4H,2,5-6H2,1H3,(H2,16,20)InChIKey
ZWYQELHLQACSAQ-UHFFFAOYSA-NSynonyms
4(5(((6bromo13benzodioxol5yl)methyl)sulfonyl)4ethyl4H124triazol3yl)125oxadiazol3amine
4(5((6bromo13benzodioxol5yl)methylsulfonyl)4ethyl124triazol3yl)125oxadiazol3amine
CCN1C(=NN=C1S(=O)(=O)CC2=CC3=C(C=C2Br)OCO3)C4=NON=C4N
InChI=1SC14H13BrN6O5Sc122113(1112(16)20261911)171814(21)27(2223)573910(48(7)15)256249h34H256H21H3(H21620)
MFCD09063305
ZINC000012413664
ZINC12413664
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