Vitas-M small molecule compound

propan-2-yl ({5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate

Catalog ID
STK587250
SMILES COc1ccc(cc1)n1c(nnc1SCC(=O)OC(C)C)COc1ccc(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 C21H22ClN3O4S MW 447.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O4S/c1-14(2)29-20(26)13-30-21-24-23-19(12-28-18-8-4-15(22)5-9-18)25(21)16-6-10-17(27-3)11-7-16/h4-11,14H,12-13H2,1-3H3
InChIKey
CKDUZFGOAXEHTC-UHFFFAOYSA-N
Synonyms
848986-58-3
848986583
CC(C)OC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)COC3=CC=C(C=C3)Cl
InChI=1SC21H22ClN3O4Sc114(2)2920(26)133021242319(1228188415(22)5918)25(21)1661017(273)11716h41114H1213H213H3
isopropyl2((5((4chlorophenoxy)methyl)4(4methoxyphenyl)4H124triazol3yl)thio)acetate
METHYLETHYL2(5((4CHLOROPHENOXY)METHYL)4(4METHOXYPHENYL)124TRIAZOL3YLTHIO)ACETATE
MFCD05678490
propan2yl((5((4chlorophenoxy)methyl)4(4methoxyphenyl)4H124triazol3yl)sulfanyl)acetate
PROPAN2YL2((5((4CHLOROPHENOXY)METHYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETATE
PROPAN2YL2((5(4CHLOROPHENOXYMETHYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETATE
ZINC000002445981
ZINC02445981
ZINC2445981

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Available files

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