Vitas-M small molecule compound

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

Catalog ID
STK221904
SMILES CCn1c(SCCOc2ccc(cc2)Cl)nnc1CNC(=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 C21H21ClN4O4S MW 460.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4O4S/c1-2-26-19(12-23-20(27)14-3-8-17-18(11-14)30-13-29-17)24-25-21(26)31-10-9-28-16-6-4-15(22)5-7-16/h3-8,11H,2,9-10,12-13H2,1H3,(H,23,27)
InChIKey
XMUSYXRITNLGBQ-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCCOC2=CC=C(C=C2)Cl)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H21ClN4O4Sc122619(122320(27)14381718(1114)30132917)242521(26)3110928166415(22)5716h3811H29101213H21H3(H2327)
MFCD07399630
N((5((2(4chlorophenoxy)ethyl)sulfanyl)4ethyl4H124triazol3yl)methyl)13benzodioxole5carboxamide
N((5(2(4CHLOROPHENOXY)ETHYLSULFANYL)4ETHYL124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
ZINC000009302486
ZINC09302486
ZINC9302486

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Available files

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