Vitas-M small molecule compound
N-({5-[(4-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-1,3-benzodioxole-5-carboxamide
Catalog ID
STK278732
SMILES CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccc(cc1)Cl
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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 C20H19ClN4O3S MW 430.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN4O3S/c1-2-25-18(23-24-20(25)29-11-13-3-6-15(21)7-4-13)10-22-19(26)14-5-8-16-17(9-14)28-12-27-16/h3-9H,2,10-12H2,1H3,(H,22,26)InChIKey
OQSYBCKRBBIZRT-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(5(4CHLOROBENZYLSULFANYL)4ETHYL4H(124)TRIAZOL3YLMETHYL)AMIDE
CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC20H19ClN4O3Sc122518(232420(25)2911133615(21)7413)102219(26)14581617(914)28122716h39H21012H21H3(H2226)
MFCD09269506
N((5((4chlorobenzyl)sulfanyl)4ethyl4H124triazol3yl)methyl)13benzodioxole5carboxamide
N((5((4chlorophenyl)methylsulfanyl)4ethyl124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000009095859
ZINC09095859
ZINC9095859
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