Vitas-M small molecule compound

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

Catalog ID
STK186614
SMILES CCOc1cc(C)ccc1OCc1nnc(n1c1ccccc1)SCC(=O)NCc1ccccc1

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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 C27H28N4O3S MW 488.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3S/c1-3-33-24-16-20(2)14-15-23(24)34-18-25-29-30-27(31(25)22-12-8-5-9-13-22)35-19-26(32)28-17-21-10-6-4-7-11-21/h4-16H,3,17-19H2,1-2H3,(H,28,32)
InChIKey
YAKWOLJSHCZDAC-UHFFFAOYSA-N
Synonyms

CCOC1=C(C=CC(=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCC4=CC=CC=C4
InChI=1SC27H28N4O3Sc1333241620(2)141523(24)341825293027(31(25)22128591322)351926(32)281721106471121h416H31719H212H3(H2832)
MFCD04401048
NBENZYL2((5((2ETHOXY4METHYLPHENOXY)METHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
NBENZYL2((5((2ETHOXY4METHYLPHENOXY)METHYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000002860415
ZINC02860415
ZINC2860415

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Available files

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