Vitas-M small molecule compound
N-(1,3-benzothiazol-2-yl)-2-methyl-4-(1-methyl-1H-pyrazol-4-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STK960266
SMILES Cn1ncc(c1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)Nc1nc2c(s1)cccc2
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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 C22H21N5O2S MW 419.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O2S/c1-12-18(21(29)26-22-25-14-6-3-4-9-17(14)30-22)19(13-10-23-27(2)11-13)20-15(24-12)7-5-8-16(20)28/h3-4,6,9-11,19,24H,5,7-8H2,1-2H3,(H,25,26,29)InChIKey
CQRQDXBWZFTYQZ-UHFFFAOYSA-NSynonyms
492423-55-9492423559
CC1=C(C(C2=C(N1)CCCC2=O)C3=CN(N=C3)C)C(=O)NC4=NC5=CC=CC=C5S4
InChI=1SC22H21N5O2Sc11218(21(29)26222514634917(14)3022)19(13102327(2)1113)2015(2412)75816(20)28h3469111924H578H212H3(H252629)
MFCD03073019
N(13benzothiazol2yl)2methyl4(1methyl1Hpyrazol4yl)5oxo145678hexahydroquinoline3carboxamide
N(13benzothiazol2yl)2methyl4(1methylpyrazol4yl)5oxo4678tetrahydro1Hquinoline3carboxamide
ZINC000005614352
ZINC000005614388
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