Vitas-M small molecule compound
N-benzyl-2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK735666
SMILES O=C(NCc1ccccc1)CSc1nnc(n1c1ccccc1)COc1ccc(cc1)C(C)(C)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 C28H30N4O2S MW 486.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O2S/c1-28(2,3)22-14-16-24(17-15-22)34-19-25-30-31-27(32(25)23-12-8-5-9-13-23)35-20-26(33)29-18-21-10-6-4-7-11-21/h4-17H,18-20H2,1-3H3,(H,29,33)InChIKey
BRNSCTLXARIELO-UHFFFAOYSA-NSynonyms
2(5((4(TERTBUTYL)PHENOXY)METHYL)4PHENYL(124TRIAZOL3YLTHIO))NBENZYLACETAMIDE
CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCC4=CC=CC=C4
InChI=1SC28H30N4O2Sc128(23)22141624(171522)341925303127(32(25)23128591323)352026(33)291821106471121h417H1820H213H3(H2933)
MFCD01304990
NBENZYL2((5((4TERTBUTYLPHENOXY)METHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
Nbenzyl2((5((4tertbutylphenoxy)methyl)4phenyl4H124triazol3yl)sulfanyl)acetamide
ZINC000002189257
ZINC02189257
ZINC2189257
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