Vitas-M small molecule compound

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

Catalog ID
STK594999
SMILES COc1cc(NC(=O)CSc2nnc(n2c2ccc(cc2)C)COc2ccc(cc2)C)cc(c1)OC

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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 C27H28N4O4S MW 504.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O4S/c1-18-5-9-21(10-6-18)31-25(16-35-22-11-7-19(2)8-12-22)29-30-27(31)36-17-26(32)28-20-13-23(33-3)15-24(14-20)34-4/h5-15H,16-17H2,1-4H3,(H,28,32)
InChIKey
VWRJBZRPKNUZAH-UHFFFAOYSA-N
Synonyms
899388-15-9
899388159
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=CC(=C3)OC)OC)COC4=CC=C(C=C4)C
InChI=1SC27H28N4O4Sc1185921(10618)3125(16352211719(2)81222)293027(31)361726(32)28201323(333)1524(1420)344h515H1617H214H3(H2832)
MFCD06608485
N(35dimethoxyphenyl)2((4(ptolyl)5((ptolyloxy)methyl)4H124triazol3yl)thio)acetamide
N(35DIMETHOXYPHENYL)2((5((4METHYLPHENOXY)METHYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(35dimethoxyphenyl)2((5((4methylphenoxy)methyl)4(4methylphenyl)4H124triazol3yl)sulfanyl)acetamide
N(35DIMETHOXYPHENYL)2((5(4METHYLPHENOXYMETHYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(35DIMETHOXYPHENYL)2(4(4METHYLPHENYL)5((4METHYLPHENOXY)METHYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002340128
ZINC02340128
ZINC2340128

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Available files

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