Vitas-M small molecule compound

N'-{(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanehydrazide

Catalog ID
STK320048
SMILES CCCC1=NN(C(=O)/C/1=C(\NNC(=O)CC(C)C)/C)c1nc2c(s1)cccc2

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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 C20H25N5O2S MW 399.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O2S/c1-5-8-15-18(13(4)22-23-17(26)11-12(2)3)19(27)25(24-15)20-21-14-9-6-7-10-16(14)28-20/h6-7,9-10,12,22H,5,8,11H2,1-4H3,(H,23,26)/b18-13-
InChIKey
NXMVRCXUCXJUDQ-AQTBWJFISA-N
Synonyms

CCCC1=NN(C(=O)C1=C(C)NNC(=O)CC(C)C)C2=NC3=CC=CC=C3S2
CCCC1=NN(C(=O)C1=C(NNC(=O)CC(C)C)C)c1nc2c(s1)cccc2
InChI=1SC20H25N5O2Sc1581518(13(4)222317(26)1112(2)3)19(27)25(2415)2021149671016(14)2820h679101222H5811H214H3(H2326)b1813
MFCD09563504
N(((1BENZOTHIAZOL2YL5OXO3PROPYL(12DIAZOLIN4YLIDENE))ETHYL)AMINO)3METHYLBUTANAMIDE
N((1Z)1(1(13benzothiazol2yl)5oxo3propyl15dihydro4Hpyrazol4ylidene)ethyl)3methylbutanehydrazide
N((1Z)1(1(13benzothiazol2yl)5oxo3propylpyrazol4ylidene)ethyl)3methylbutanehydrazide
ZINC000100136021
ZINC100136021

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Available files

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