Vitas-M small molecule compound
1-[(7Z)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(2lambda~5~-triaz-1-en-2-yn-1-yl)ethanone
Catalog ID
STK993163
SMILES N#N=NCC(=O)N1N=C2C(C1c1ccccc1)CCC/C/2=C/c1ccccc1
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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 C22H21N5O MW 371.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O/c23-26-24-15-20(28)27-22(17-10-5-2-6-11-17)19-13-7-12-18(21(19)25-27)14-16-8-3-1-4-9-16/h1-6,8-11,14,19,22H,7,12-13,15H2/b18-14-InChIKey
ZRUFOLRSRPCPEF-JXAWBTAJSA-NSynonyms
1((7Z)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)2(2lambda~5~triaz1en2yn1yl)ethanone
2AZIDO1((7Z)7BENZYLIDENE3PHENYL3A456TETRAHYDRO3HINDAZOL2YL)ETHANONE
C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)CN=(N+)=(N))C4=CC=CC=C4
InChI=1SC22H21N5Oc2326241520(28)2722(17105261117)191371218(21(19)2527)14168314916h16811141922H7121315H2b1814
MFCD03613250
N#N=NCC(=O)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1
ZINC000102821274
ZINC000102821280
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