Vitas-M small molecule compound

N-{4-[(1E)-1-{2-[(3-chloro-1-benzothiophen-2-yl)carbonyl]hydrazinylidene}ethyl]phenyl}-5-methyl-1,2-oxazole-3-carboxamide

Catalog ID
STK429515
SMILES Cc1onc(c1)C(=O)Nc1ccc(cc1)/C(=N/NC(=O)c1sc2c(c1Cl)cccc2)/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 C22H17ClN4O3S MW 452.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN4O3S/c1-12-11-17(27-30-12)21(28)24-15-9-7-14(8-10-15)13(2)25-26-22(29)20-19(23)16-5-3-4-6-18(16)31-20/h3-11H,1-2H3,(H,24,28)(H,26,29)/b25-13+
InChIKey
GBPFGPIPZJLJMV-DHRITJCHSA-N
Synonyms

CC1=CC(=NO1)C(=O)NC2=CC=C(C=C2)C(=NNC(=O)C3=C(C4=CC=CC=C4S3)Cl)C
Cc1onc(c1)C(=O)Nc1ccc(cc1)C(=NNC(=O)c1sc2c(c1Cl)cccc2)C
InChI=1SC22H17ClN4O3Sc1121117(273012)21(28)24159714(81015)13(2)252622(29)2019(23)16534618(16)3120h311H12H3(H2428)(H2629)b2513+
MFCD03234093
N((1E)2(4((5METHYLISOXAZOL3YL)CARBONYLAMINO)PHENYL)1AZAPROP1ENYL)(3CHLOROBENZO(B)THIOPHEN2YL)CARBOXAMIDE
N(4((1E)1(2((3chloro1benzothiophen2yl)carbonyl)hydrazinylidene)ethyl)phenyl)5methyl12oxazole3carboxamide
N(4((E)N((3chloro1benzothiophene2carbonyl)amino)Cmethylcarbonimidoyl)phenyl)5methyl12oxazole3carboxamide
N(4(N((3CHLORO1BENZOTHIEN2YL)CARBONYL)ETHANEHYDRAZONOYL)PHENYL)5METHYL3ISOXAZOLECARBOXAMIDE
ZINC000001005691
ZINC33291638

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Available files

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