Vitas-M small molecule compound

N-[(2-chlorophenyl)(4-chlorophenyl)methyl]-1-{ethyl[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}cyclopentanecarboxamide

Catalog ID
STL447397
SMILES CCN(C1(CCCC1)C(=O)NC(c1ccccc1Cl)c1ccc(cc1)Cl)C(=O)CSc1[nH]ncn1

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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 C25H27Cl2N5O2S MW 532.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27Cl2N5O2S/c1-2-32(21(33)15-35-24-28-16-29-31-24)25(13-5-6-14-25)23(34)30-22(17-9-11-18(26)12-10-17)19-7-3-4-8-20(19)27/h3-4,7-12,16,22H,2,5-6,13-15H2,1H3,(H,30,34)(H,28,29,31)
InChIKey
YIKKFHZUARAUKU-UHFFFAOYSA-N
Synonyms

1(2(2H124TRIAZOL3YLTHIO)NETHYLACETAMIDO)N((2CHLOROPHENYL)(4CHLOROPHENYL)METHYL)CYCLOPENTANECARBOXAMIDE
CCN(C(=O)CSC1=NC=NN1)C2(CCCC2)C(=O)NC(C3=CC=C(C=C3)Cl)C4=CC=CC=C4Cl
CCN(C1(CCCC1)C(=O)NC(c1ccccc1Cl)c1ccc(cc1)Cl)C(=O)CSc1(nH)ncn1
InChI=1SC25H27Cl2N5O2Sc1232(21(33)1535242816293124)25(13561425)23(34)3022(1791118(26)121017)19734820(19)27h347121622H2561315H21H3(H3034)(H282931)
MFCD06244753
N((2chlorophenyl)(4chlorophenyl)methyl)1(ethyl((1H124triazol5ylsulfanyl)acetyl)amino)cyclopentanecarboxamide
N((2CHLOROPHENYL)(4CHLOROPHENYL)METHYL)1(ETHYL(2(1H124TRIAZOL5YLSULFANYL)ACETYL)AMINO)CYCLOPENTANE1CARBOXAMIDE
ZINC000008752690
ZINC000008752704

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Available files

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