Vitas-M small molecule compound

2-({4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N,N-diethylacetamide

Catalog ID
STK588927
SMILES CCOc1ccc(cc1)n1c(COc2ccc(cc2)C)nnc1SCC(=O)N(CC)CC

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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 C24H30N4O3S MW 454.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N4O3S/c1-5-27(6-2)23(29)17-32-24-26-25-22(16-31-21-12-8-18(4)9-13-21)28(24)19-10-14-20(15-11-19)30-7-3/h8-15H,5-7,16-17H2,1-4H3
InChIKey
MRNDWWLSJZKXTH-UHFFFAOYSA-N
Synonyms
896857-39-9
2((4(4ETHOXYPHENYL)5((4METHYLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)NNDIETHYLACETAMIDE
2((4(4ethoxyphenyl)5((4methylphenoxy)methyl)4H124triazol3yl)sulfanyl)NNdiethylacetamide
2((4(4ethoxyphenyl)5((ptolyloxy)methyl)4H124triazol3yl)thio)NNdiethylacetamide
2((4(4ETHOXYPHENYL)5(4METHYLPHENOXYMETHYL)4H124TRIAZOL3YL)SULFANYL)NNDIETHYLACETAMIDE
2(4(4ETHOXYPHENYL)5((4METHYLPHENOXY)METHYL)(124TRIAZOL3YLTHIO))NNDIETHYLACETAMIDE
896857399
CCN(CC)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OCC)COC3=CC=C(C=C3)C
InChI=1SC24H30N4O3Sc1527(62)23(29)173224262522(16312112818(4)91321)28(24)19101420(151119)3073h815H571617H214H3
MFCD06603839
ZINC000002241273
ZINC02241273
ZINC2241273

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.