Vitas-M small molecule compound
(3Z)-3-({1-[4-(cyclohexylamino)-3-nitrophenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-methyl-5-(morpholin-4-ylsulfonyl)-1,3-dihydro-2H-indol-2-one
Catalog ID
STL441575
SMILES O=C1N(C)c2c(/C/1=C/c1cc(n(c1C)c1ccc(c(c1)[N+](=O)[O-])NC1CCCCC1)C)cc(cc2)S(=O)(=O)N1CCOCC1
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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 C32H37N5O6S MW 619.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37N5O6S/c1-21-17-23(22(2)36(21)25-9-11-29(31(19-25)37(39)40)33-24-7-5-4-6-8-24)18-28-27-20-26(10-12-30(27)34(3)32(28)38)44(41,42)35-13-15-43-16-14-35/h9-12,17-20,24,33H,4-8,13-16H2,1-3H3/b28-18-InChIKey
XLJKSLVWKDVRFR-VEILYXNESA-NSynonyms
(3Z)3((1(4(cyclohexylamino)3nitrophenyl)25dimethyl1Hpyrrol3yl)methylidene)1methyl5(morpholin4ylsulfonyl)13dihydro2Hindol2one
(3Z)3((1(4(CYCLOHEXYLAMINO)3NITROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1METHYL5MORPHOLIN4YLSULFONYLINDOL2ONE
CC1=CC(=C(N1C2=CC(=C(C=C2)NC3CCCCC3)(N+)(=O)(O))C)C=C4C5=C(C=CC(=C5)S(=O)(=O)N6CCOCC6)N(C4=O)C
InChI=1SC32H37N5O6Sc1211723(22(2)36(21)2591129(31(1925)37(39)40)33247546824)1828272026(101230(27)34(3)32(28)38)44(4142)35131543161435h91217202433H481316H213H3b2818
MFCD07773964
O=C1N(C)c2c(C1=Cc1cc(n(c1C)c1ccc(c(c1)(N+)(=O)(O))NC1CCCCC1)C)cc(cc2)S(=O)(=O)N1CCOCC1
ZINC000008777648
ZINC8777648
Check stock
See real-time availability and sample size for STL441575 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.