Vitas-M small molecule compound

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

Catalog ID
STK697159
SMILES CCc1ccccc1NC(=O)CSc1nnc(n1c1ccccc1)c1ccc(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 C28H30N4OS MW 470.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4OS/c1-5-20-11-9-10-14-24(20)29-25(33)19-34-27-31-30-26(32(27)23-12-7-6-8-13-23)21-15-17-22(18-16-21)28(2,3)4/h6-18H,5,19H2,1-4H3,(H,29,33)
InChIKey
AJZGWLXXMRJZNQ-UHFFFAOYSA-N
Synonyms
861118-90-3
2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)N(2ethylphenyl)acetamide
2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N(2ETHYLPHENYL)ACETAMIDE
2((5(4tertbutylphenyl)4phenyl4H124triazol3yl)sulfanyl)N(2ethylphenyl)acetamide
2(5(4(TERTBUTYL)PHENYL)4PHENYL(124TRIAZOL3YLTHIO))N(2ETHYLPHENYL)ACETAMIDE
861118903
CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC28H30N4OSc1520119101424(20)2925(33)193427313026(32(27)23127681323)21151722(181621)28(23)4h618H519H214H3(H2933)
MFCD05683186
ZINC000009307637
ZINC09307637
ZINC9307637

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Available files

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