Vitas-M small molecule compound

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

Catalog ID
STK581246
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)CC)nnc1COc1ccccc1

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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 C26H26N4O3S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O3S/c1-3-19-9-11-20(12-10-19)27-25(31)18-34-26-29-28-24(17-33-23-7-5-4-6-8-23)30(26)21-13-15-22(32-2)16-14-21/h4-16H,3,17-18H2,1-2H3,(H,27,31)
InChIKey
IQIRAPHBLIZHNE-UHFFFAOYSA-N
Synonyms
900298-26-2
900298262
CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)COC4=CC=CC=C4
InChI=1SC26H26N4O3Sc131991120(121019)2725(31)183426292824(1733237546823)30(26)21131522(322)161421h416H31718H212H3(H2731)
MFCD06611682
N(4ETHYLPHENYL)2((4(4METHOXYPHENYL)5(PHENOXYMETHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4ethylphenyl)2((4(4methoxyphenyl)5(phenoxymethyl)4H124triazol3yl)sulfanyl)acetamide
N(4ethylphenyl)2((4(4methoxyphenyl)5(phenoxymethyl)4H124triazol3yl)thio)acetamide
N(4ETHYLPHENYL)2(4(4METHOXYPHENYL)5(PHENOXYMETHYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002354402
ZINC02354402
ZINC2354402

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Available files

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