Vitas-M small molecule compound
N-({4-ethyl-5-[(2-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-1,3-benzodioxole-5-carboxamide
Catalog ID
STK261210
SMILES CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccccc1[N+](=O)[O-]
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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 C20H19N5O5S MW 441.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O5S/c1-2-24-18(10-21-19(26)13-7-8-16-17(9-13)30-12-29-16)22-23-20(24)31-11-14-5-3-4-6-15(14)25(27)28/h3-9H,2,10-12H2,1H3,(H,21,26)InChIKey
CEMNQPCMLJLECE-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(4ETHYL5(2NITROBENZYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)AMIDE
CCN1C(=NN=C1SCC2=CC=CC=C2(N+)(=O)(O))CNC(=O)C3=CC4=C(C=C3)OCO4
CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccccc1(N+)(=O)(O)
InChI=1SC20H19N5O5Sc122418(102119(26)13781617(913)30122916)222320(24)311114534615(14)25(27)28h39H21012H21H3(H2126)
MFCD08683288
N((4ethyl5((2nitrobenzyl)sulfanyl)4H124triazol3yl)methyl)13benzodioxole5carboxamide
N((4ethyl5((2nitrophenyl)methylsulfanyl)124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000009426884
ZINC09426884
ZINC9426884
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