Vitas-M small molecule compound

N-{[5-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide

Catalog ID
STK261098
SMILES Clc1ccc(cc1)c1nnc(o1)CSc1nnc(n1C)CNC(=O)c1ccc2c(c1)OCO2

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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 C21H17ClN6O4S MW 484.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN6O4S/c1-28-17(9-23-19(29)13-4-7-15-16(8-13)31-11-30-15)24-27-21(28)33-10-18-25-26-20(32-18)12-2-5-14(22)6-3-12/h2-8H,9-11H2,1H3,(H,23,29)
InChIKey
JDMPHMBVONGDDB-UHFFFAOYSA-N
Synonyms

BENZO(13)DIOXOLE5CARBOXYLICACID(5(5(4CHLOROPHENYL)(134)OXADIAZOL2YLMETHYLSULFANYL)4METHYL4H(124)TRIAZOL3YLMETHYL)AMIDE
CN1C(=NN=C1SCC2=NN=C(O2)C3=CC=C(C=C3)Cl)CNC(=O)C4=CC5=C(C=C4)OCO5
InChI=1SC21H17ClN6O4Sc12817(92319(29)13471516(813)31113015)242721(28)331018252620(3218)122514(22)6312h28H911H21H3(H2329)
MFCD08670469
N((5(((5(4CHLOROPHENYL)134OXADIAZOL2YL)METHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((5((5(4chlorophenyl)134oxadiazol2yl)methylsulfanyl)4methyl124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000009426790
ZINC09426790
ZINC9426790

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Available files

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