Vitas-M small molecule compound

N-{4-[(1E)-1-{2-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]hydrazinylidene}ethyl]phenyl}-5-methylthiophene-2-carboxamide

Catalog ID
STK450753
SMILES Cc1ccc(s1)C(=O)Nc1ccc(cc1)/C(=N/NC(=O)c1nn(c(c1Br)C)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 C20H20BrN5O2S MW 474.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN5O2S/c1-11-5-10-16(29-11)19(27)22-15-8-6-14(7-9-15)12(2)23-24-20(28)18-17(21)13(3)26(4)25-18/h5-10H,1-4H3,(H,22,27)(H,24,28)/b23-12+
InChIKey
XFECPRAVYQFQHI-FSJBWODESA-N
Synonyms

4bromo15dimethylN((E)1(4((5methylthiophene2carbonyl)amino)phenyl)ethylideneamino)pyrazole3carboxamide
CC1=CC=C(S1)C(=O)NC2=CC=C(C=C2)C(=NNC(=O)C3=NN(C(=C3Br)C)C)C
Cc1ccc(s1)C(=O)Nc1ccc(cc1)C(=NNC(=O)c1nn(c(c1Br)C)C)C
InChI=1SC20H20BrN5O2Sc11151016(2911)19(27)22158614(7915)12(2)232420(28)1817(21)13(3)26(4)2518h510H14H3(H2227)(H2428)b2312+
MFCD03072102
N((1E)2(4((5METHYL(2THIENYL))CARBONYLAMINO)PHENYL)1AZAPROP1ENYL)(4BROMO15DIMETHYLPYRAZOL3YL)CARBOXAMIDE
N(4((1E)1(2((4bromo15dimethyl1Hpyrazol3yl)carbonyl)hydrazinylidene)ethyl)phenyl)5methylthiophene2carboxamide
N(4(N((4BROMO15DIMETHYL1HPYRAZOL3YL)CARBONYL)ETHANEHYDRAZONOYL)PHENYL)5METHYL2THIOPHENECARBOXAMIDE
ZINC000008453696
ZINC13138985

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Available files

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