Vitas-M small molecule compound

N'-[(E)-(1-benzyl-2-methyl-1H-indol-3-yl)methylidene]-3-tert-butyl-1H-pyrazole-5-carbohydrazide

Catalog ID
STK181159
SMILES O=C(c1[nH]nc(c1)C(C)(C)C)N/N=C/c1c(C)n(c2c1cccc2)Cc1ccccc1

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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 C25H27N5O MW 413.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O/c1-17-20(15-26-29-24(31)21-14-23(28-27-21)25(2,3)4)19-12-8-9-13-22(19)30(17)16-18-10-6-5-7-11-18/h5-15H,16H2,1-4H3,(H,27,28)(H,29,31)/b26-15+
InChIKey
YRHZXMZNYGGOTO-CVKSISIWSA-N
Synonyms

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)C=NNC(=O)C4=NNC(=C4)C(C)(C)C
InChI=1SC25H27N5Oc11720(15262924(31)211423(282721)25(23)4)1912891322(19)30(17)1618106571118h515H16H214H3(H2728)(H2931)b2615+
MFCD02188386
N((1E)2(2METHYL1BENZYLINDOL3YL)1AZAVINYL)(3(TERTBUTYL)PYRAZOL5YL)CARBOXAMIDE
N((E)(1BENZYL2METHYL1HINDOL3YL)METHYLIDENE)3TERTBUTYL1HPYRAZOLE5CARBOHYDRAZIDE
N((E)(1benzyl2methylindol3yl)methylideneamino)5tertbutyl1Hpyrazole3carboxamide
O=C(c1(nH)nc(c1)C(C)(C)C)NN=Cc1c(C)n(c2c1cccc2)Cc1ccccc1
ZINC000009700703
ZINC33732088

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Available files

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