Vitas-M small molecule compound
(3Z)-3-({1-[4-(cyclohexylamino)-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
STL448693
SMILES CCN1C(=O)/C(=C\c2cc(n(c2C)c2ccc(c(c2)[N+](=O)[O-])NC2CCCCC2)C)/c2c1ccc(c2)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 C33H39N5O6S MW 633.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39N5O6S/c1-4-36-31-13-11-27(45(42,43)35-14-16-44-17-15-35)21-28(31)29(33(36)39)19-24-18-22(2)37(23(24)3)26-10-12-30(32(20-26)38(40)41)34-25-8-6-5-7-9-25/h10-13,18-21,25,34H,4-9,14-17H2,1-3H3/b29-19-InChIKey
GQTPWFJEQPLXSP-CEUNXORHSA-NSynonyms
(3Z)3((1(4(cyclohexylamino)3nitrophenyl)25dimethyl1Hpyrrol3yl)methylidene)1ethyl5(morpholin4ylsulfonyl)13dihydro2Hindol2one
(3Z)3((1(4(CYCLOHEXYLAMINO)3NITROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1ETHYL5MORPHOLIN4YLSULFONYLINDOL2ONE
CCN1C(=O)C(=Cc2cc(n(c2C)c2ccc(c(c2)(N+)(=O)(O))NC2CCCCC2)C)c2c1ccc(c2)S(=O)(=O)N1CCOCC1
CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=CC4=C(N(C(=C4)C)C5=CC(=C(C=C5)NC6CCCCC6)(N+)(=O)(O))C)C1=O
InChI=1SC33H39N5O6Sc143631131127(45(4243)35141644171535)2128(31)29(33(36)39)19241822(2)37(23(24)3)26101230(32(2026)38(40)41)34258657925h101318212534H491417H213H3b2919
MFCD05132791
ZINC000008778105
ZINC8778105
Check stock
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Check stock on Vitas-MAvailable files
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