Vitas-M small molecule compound

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

Catalog ID
STK592106
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)Cl)Cl)nnc1COc1ccc(cc1)C

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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 C25H22Cl2N4O3S MW 529.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22Cl2N4O3S/c1-16-3-8-20(9-4-16)34-14-23-29-30-25(31(23)18-6-10-19(33-2)11-7-18)35-15-24(32)28-17-5-12-21(26)22(27)13-17/h3-13H,14-15H2,1-2H3,(H,28,32)
InChIKey
IITZEVWBFCSYMM-UHFFFAOYSA-N
Synonyms
849008-69-1
849008691
CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NC4=CC(=C(C=C4)Cl)Cl
InChI=1SC25H22Cl2N4O3Sc1163820(9416)341423293025(31(23)1861019(332)11718)351524(32)281751221(26)22(27)1317h313H1415H212H3(H2832)
MFCD05680457
N(34DICHLOROPHENYL)2((4(4METHOXYPHENYL)5((4METHYLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(34dichlorophenyl)2((4(4methoxyphenyl)5((4methylphenoxy)methyl)4H124triazol3yl)sulfanyl)acetamide
N(34dichlorophenyl)2((4(4methoxyphenyl)5((ptolyloxy)methyl)4H124triazol3yl)thio)acetamide
N(34DICHLOROPHENYL)2((4(4METHOXYPHENYL)5(4METHYLPHENOXYMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(34DICHLOROPHENYL)2(4(4METHOXYPHENYL)5((4METHYLPHENOXY)METHYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002450950
ZINC2450950

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Available files

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