Vitas-M small molecule compound
N-({4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-1,3-benzodioxole-5-carboxamide
Catalog ID
STK267248
SMILES Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccccc1C
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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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c1-13-5-3-4-6-15(13)11-28-20-23-22-18(24(20)2)10-21-19(25)14-7-8-16-17(9-14)27-12-26-16/h3-9H,10-12H2,1-2H3,(H,21,25)InChIKey
JNRUTDXYZJDUPT-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(4METHYL5(2METHYLBENZYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)AMIDE
CC1=CC=CC=C1CSC2=NN=C(N2C)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC20H20N4O3Sc113534615(13)112820232218(24(20)2)102119(25)14781617(914)27122616h39H1012H212H3(H2125)
MFCD09267887
N((4methyl5((2methylbenzyl)sulfanyl)4H124triazol3yl)methyl)13benzodioxole5carboxamide
N((4METHYL5((2METHYLPHENYL)METHYLSULFANYL)124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
ZINC000007871090
ZINC07871090
ZINC7871090
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