Vitas-M small molecule compound
(1-ethyl-4-nitro-1H-pyrazol-3-yl)[(7E)-5-methyl-3-(thiophen-2-yl)-7-(thiophen-2-ylmethylidene)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STL401906
SMILES CCn1nc(c(c1)[N+](=O)[O-])C(=O)N1N=C2C(C1c1cccs1)CC(C/C/2=C\c1cccs1)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 C23H23N5O3S2 MW 481.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O3S2/c1-3-26-13-18(28(30)31)21(24-26)23(29)27-22(19-7-5-9-33-19)17-11-14(2)10-15(20(17)25-27)12-16-6-4-8-32-16/h4-9,12-14,17,22H,3,10-11H2,1-2H3/b15-12+InChIKey
ZIIBGJLLXHGQHL-NTCAYCPXSA-NSynonyms
1025583-50-9(1ethyl4nitro1Hpyrazol3yl)((7E)5methyl3(thiophen2yl)7(thiophen2ylmethylidene)33a4567hexahydro2Hindazol2yl)methanone
(1ETHYL4NITROPYRAZOL3YL)((7E)5METHYL3THIOPHEN2YL7(THIOPHEN2YLMETHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
1025583509
CCN1C=C(C(=N1)C(=O)N2C(C3CC(CC(=CC4=CC=CS4)C3=N2)C)C5=CC=CS5)(N+)(=O)(O)
CCn1nc(c(c1)(N+)(=O)(O))C(=O)N1N=C2C(C1c1cccs1)CC(CC2=Cc1cccs1)C
InChI=1SC23H23N5O3S2c13261318(28(30)31)21(2426)23(29)2722(197593319)171114(2)1015(20(17)2527)12166483216h4912141722H31011H212H3b1512+
MFCD03467749
ZINC000017143480
ZINC000245241234
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