Vitas-M small molecule compound
(3E)-3-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-ethyl-5-(morpholin-4-ylsulfonyl)-1,3-dihydro-2H-indol-2-one
Catalog ID
STL448700
SMILES CCN1c2ccc(cc2/C(=C\c2cc(n(c2C)c2cccc(c2)[N+](=O)[O-])C)/C1=O)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 C27H28N4O6S MW 536.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O6S/c1-4-29-26-9-8-23(38(35,36)28-10-12-37-13-11-28)17-24(26)25(27(29)32)15-20-14-18(2)30(19(20)3)21-6-5-7-22(16-21)31(33)34/h5-9,14-17H,4,10-13H2,1-3H3/b25-15+InChIKey
MAGVYSPTGJDNKX-MFKUBSTISA-NSynonyms
(3E)3((25dimethyl1(3nitrophenyl)1Hpyrrol3yl)methylidene)1ethyl5(morpholin4ylsulfonyl)13dihydro2Hindol2one
(3E)3((25dimethyl1(3nitrophenyl)pyrrol3yl)methylidene)1ethyl5morpholin4ylsulfonylindol2one
CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=CC4=C(N(C(=C4)C)C5=CC(=CC=C5)(N+)(=O)(O))C)C1=O
CCN1c2ccc(cc2C(=Cc2cc(n(c2C)c2cccc(c2)(N+)(=O)(O))C)C1=O)S(=O)(=O)N1CCOCC1
InChI=1SC27H28N4O6Sc1429269823(38(3536)28101237131128)1724(26)25(27(29)32)15201418(2)30(19(20)3)2165722(1621)31(33)34h591417H41013H213H3b2515+
MFCD05133797
ZINC000101377536
ZINC101377536
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