Vitas-M small molecule compound

{(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}(cyano)azanide

Catalog ID
STK074330
SMILES N#C[N-]/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)/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 C19H12N5OS MW 358.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N5OS/c1-12(21-11-20)16-17(13-7-3-2-4-8-13)23-24(18(16)25)19-22-14-9-5-6-10-15(14)26-19/h2-10H,1H3,(H,21,23,25)/p-1
InChIKey
VMUNWNZEONDGJK-UHFFFAOYSA-M
Synonyms

((1Z)1(1(13benzothiazol2yl)5oxo3phenyl15dihydro4Hpyrazol4ylidene)ethyl)(cyano)azanide
MFCD03033267
N#C(N)C(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)C
N#C(N)C(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)C(Na+)
sodium(1((4Z)1(13benzothiazol2yl)5oxo3phenyl45dihydro1Hpyrazol4ylidene)ethyl)(cyano)azanide
STK074330
ZINC000667895749
ZINC000667895750

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Available files

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