Vitas-M small molecule compound

N-(4-{5-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-2-phenoxyacetamide

Catalog ID
STK129949
SMILES O=C(Nc1ccc(cc1)c1nnc(n1C)SCc1ccc(cc1)C(C)(C)C)COc1ccccc1

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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 C28H30N4O2S MW 486.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O2S/c1-28(2,3)22-14-10-20(11-15-22)19-35-27-31-30-26(32(27)4)21-12-16-23(17-13-21)29-25(33)18-34-24-8-6-5-7-9-24/h5-17H,18-19H2,1-4H3,(H,29,33)
InChIKey
XIKYLMNOCADUIH-UHFFFAOYSA-N
Synonyms
CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4
N(4(5((4TERTBUTYLBENZYL)SULFANYL)4METHYL4H124TRIAZOL3YL)PHENYL)2PHENOXYACETAMIDE
N(4(5((4TERTBUTYLPHENYL)METHYLSULFANYL)4METHYL124TRIAZOL3YL)PHENYL)2PHENOXYACETAMIDE
Registry IDs
MFCD04153250
ZINC000008438299
ZINC08438299
ZINC8438299

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Available files

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