Vitas-M small molecule compound

4-bromo-1-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-5-carboxamide

Catalog ID
STL403457
SMILES CC(CCCC(NC(=O)c1c(Br)cnn1C)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 C13H22BrN3O MW 316.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H22BrN3O/c1-9(2)6-5-7-10(3)16-13(18)12-11(14)8-15-17(12)4/h8-10H,5-7H2,1-4H3,(H,16,18)
InChIKey
VVBBZKWZWBTCNX-UHFFFAOYSA-N
Synonyms
1005638-78-7
1005638787
4bromo1methylN(6methylheptan2yl)1Hpyrazole5carboxamide
4BROMO2METHYLN(6METHYLHEPTAN2YL)PYRAZOLE3CARBOXAMIDE
CC(C)CCCC(C)NC(=O)C1=C(C=NN1C)Br
InChI=1SC13H22BrN3Oc19(2)65710(3)1613(18)1211(14)81517(12)4h810H57H214H3(H1618)
MFCD04129464
ZINC000002780901
ZINC000002780902

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Available files

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