Vitas-M small molecule compound
(3E)-3-[(2,5-dimethyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-pyrrol-3-yl)methylidene]-1-ethyl-5-(morpholin-4-ylsulfonyl)-1,3-dihydro-2H-indol-2-one
Catalog ID
STL448711
SMILES CCN1c2ccc(cc2/C(=C\c2cc(n(c2C)c2ccc(cc2)Sc2ccc(cc2)[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 C33H32N4O6S2 MW 644.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N4O6S2/c1-4-35-32-14-13-29(45(41,42)34-15-17-43-18-16-34)21-30(32)31(33(35)38)20-24-19-22(2)36(23(24)3)25-5-9-27(10-6-25)44-28-11-7-26(8-12-28)37(39)40/h5-14,19-21H,4,15-18H2,1-3H3/b31-20+InChIKey
TYXQWYYTXRSJQA-AJBULDERSA-NSynonyms
(3E)3((25dimethyl1(4((4nitrophenyl)sulfanyl)phenyl)1Hpyrrol3yl)methylidene)1ethyl5(morpholin4ylsulfonyl)13dihydro2Hindol2one
(3E)3((25dimethyl1(4(4nitrophenyl)sulfanylphenyl)pyrrol3yl)methylidene)1ethyl5morpholin4ylsulfonylindol2one
CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=CC4=C(N(C(=C4)C)C5=CC=C(C=C5)SC6=CC=C(C=C6)(N+)(=O)(O))C)C1=O
CCN1c2ccc(cc2C(=Cc2cc(n(c2C)c2ccc(cc2)Sc2ccc(cc2)(N+)(=O)(O))C)C1=O)S(=O)(=O)N1CCOCC1
InChI=1SC33H32N4O6S2c143532141329(45(4142)34151743181634)2130(32)31(33(35)38)20241922(2)36(23(24)3)255927(10625)442811726(81228)37(39)40h5141921H41518H213H3b3120+
MFCD05133809
ZINC000150624723
ZINC150624723
Check stock
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Check stock on Vitas-MAvailable files
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