Vitas-M small molecule compound

N-[4-bromo-2-(propan-2-yl)phenyl]-2-({4-ethyl-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

Catalog ID
STK151543
SMILES COc1ccc(cc1)OCc1nnc(n1CC)SCC(=O)Nc1ccc(cc1C(C)C)Br

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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 C23H27BrN4O3S MW 519.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27BrN4O3S/c1-5-28-21(13-31-18-9-7-17(30-4)8-10-18)26-27-23(28)32-14-22(29)25-20-11-6-16(24)12-19(20)15(2)3/h6-12,15H,5,13-14H2,1-4H3,(H,25,29)
InChIKey
HKSRQMNINTWRSX-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)C(C)C)COC3=CC=C(C=C3)OC
InChI=1SC23H27BrN4O3Sc152821(1331189717(304)81018)262723(28)321422(29)252011616(24)1219(20)15(2)3h61215H51314H214H3(H2529)
MFCD04405655
N(4BROMO2(PROPAN2YL)PHENYL)2((4ETHYL5((4METHOXYPHENOXY)METHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4BROMO2PROPAN2YLPHENYL)2((4ETHYL5((4METHOXYPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000002859259
ZINC02859259
ZINC2859259

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Available files

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