Vitas-M small molecule compound
(3Z)-3-({1-[4-(cyclopentylamino)-3-nitrophenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-ethyl-5-(morpholin-4-ylsulfonyl)-1,3-dihydro-2H-indol-2-one
Catalog ID
STL448726
SMILES CCN1c2ccc(cc2/C(=C/c2cc(n(c2C)c2ccc(c(c2)[N+](=O)[O-])NC2CCCC2)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 C32H37N5O6S MW 619.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37N5O6S/c1-4-35-30-12-10-26(44(41,42)34-13-15-43-16-14-34)20-27(30)28(32(35)38)18-23-17-21(2)36(22(23)3)25-9-11-29(31(19-25)37(39)40)33-24-7-5-6-8-24/h9-12,17-20,24,33H,4-8,13-16H2,1-3H3/b28-18-InChIKey
OBWIKUHWJSJJQZ-VEILYXNESA-NSynonyms
(3Z)3((1(4(cyclopentylamino)3nitrophenyl)25dimethyl1Hpyrrol3yl)methylidene)1ethyl5(morpholin4ylsulfonyl)13dihydro2Hindol2one
(3Z)3((1(4(CYCLOPENTYLAMINO)3NITROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1ETHYL5MORPHOLIN4YLSULFONYLINDOL2ONE
CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=CC4=C(N(C(=C4)C)C5=CC(=C(C=C5)NC6CCCC6)(N+)(=O)(O))C)C1=O
CCN1c2ccc(cc2C(=Cc2cc(n(c2C)c2ccc(c(c2)(N+)(=O)(O))NC2CCCC2)C)C1=O)S(=O)(=O)N1CCOCC1
InChI=1SC32H37N5O6Sc143530121026(44(4142)34131543161434)2027(30)28(32(35)38)18231721(2)36(22(23)3)2591129(31(1925)37(39)40)3324756824h91217202433H481316H213H3b2818
MFCD05133649
ZINC000008778169
ZINC8778169
Check stock
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Check stock on Vitas-MAvailable files
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