Vitas-M small molecule compound
1-[5-(1,3-benzodioxol-5-yl)-4-tert-butyl-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone
Catalog ID
STK293390
SMILES CC(=O)C1=NN(C(N1C(C)(C)C)c1ccc2c(c1)OCO2)c1ccccc1
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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 C21H23N3O3 MW 365.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3/c1-14(25)19-22-24(16-8-6-5-7-9-16)20(23(19)21(2,3)4)15-10-11-17-18(12-15)27-13-26-17/h5-12,20H,13H2,1-4H3InChIKey
FCQGWLQZXJZBMS-UHFFFAOYSA-NSynonyms
346634-79-51((5R)5(13BENZODIOXOL5YL)4TERTBUTYL1PHENYL45DIHYDRO1H124TRIAZOL3YL)ETHANONE
1(3(13BENZODIOXOL5YL)4TERTBUTYL2PHENYL3H124TRIAZOL5YL)ETHANONE
1(5(13BENZODIOXOL5YL)4TERTBUTYL1PHENYL45DIHYDRO1H124TRIAZOL3YL)ETHANONE
1(5(benzo(d)(13)dioxol5yl)4(tertbutyl)1phenyl45dihydro1H124triazol3yl)ethanone
346634795
5(2HBENZO(34D)13DIOXOLAN5YL)3ACETYL4(TERTBUTYL)1PHENYL124TRIAZOLINE
CC(=O)C1=NN(C(N1C(C)(C)C)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4
InChI=1SC21H23N3O3c114(25)192224(168657916)20(23(19)21(23)4)1510111718(1215)27132617h51220H13H214H3
MFCD01462158
ZINC000002254898
ZINC000002254899
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