Vitas-M small molecule compound
N-[4-(5-{[(6-bromo-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]propanamide
Catalog ID
STK266705
SMILES CCC(=O)Nc1nonc1c1nnc(n1C)SCc1cc2OCOc2cc1Br
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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 C16H15BrN6O4S MW 467.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15BrN6O4S/c1-3-12(24)18-14-13(21-27-22-14)15-19-20-16(23(15)2)28-6-8-4-10-11(5-9(8)17)26-7-25-10/h4-5H,3,6-7H2,1-2H3,(H,18,22,24)InChIKey
QWUICOLWZSKMMG-UHFFFAOYSA-NSynonyms
CCC(=O)NC1=NON=C1C2=NN=C(N2C)SCC3=CC4=C(C=C3Br)OCO4
InChI=1SC16H15BrN6O4Sc1312(24)181413(21272214)15192016(23(15)2)286841011(59(8)17)2672510h45H367H212H3(H182224)
MFCD08684908
N(4(5(((6bromo13benzodioxol5yl)methyl)sulfanyl)4methyl4H124triazol3yl)125oxadiazol3yl)propanamide
N(4(5((6bromo13benzodioxol5yl)methylsulfanyl)4methyl124triazol3yl)125oxadiazol3yl)propanamide
ZINC000009581751
ZINC9581751
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