Vitas-M small molecule compound
(3Z)-3-({1-[4-(cyclopentylamino)-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
STL448689
SMILES CN1c2ccc(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 C31H35N5O6S MW 605.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N5O6S/c1-20-16-22(21(2)35(20)24-8-10-28(30(18-24)36(38)39)32-23-6-4-5-7-23)17-27-26-19-25(9-11-29(26)33(3)31(27)37)43(40,41)34-12-14-42-15-13-34/h8-11,16-19,23,32H,4-7,12-15H2,1-3H3/b27-17-InChIKey
VLAJKIHIIYSDJG-PKAZHMFMSA-NSynonyms
(3Z)3((1(4(cyclopentylamino)3nitrophenyl)25dimethyl1Hpyrrol3yl)methylidene)1methyl5(morpholin4ylsulfonyl)13dihydro2Hindol2one
(3Z)3((1(4(CYCLOPENTYLAMINO)3NITROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1METHYL5MORPHOLIN4YLSULFONYLINDOL2ONE
CC1=CC(=C(N1C2=CC(=C(C=C2)NC3CCCC3)(N+)(=O)(O))C)C=C4C5=C(C=CC(=C5)S(=O)(=O)N6CCOCC6)N(C4=O)C
CN1c2ccc(cc2C(=Cc2cc(n(c2C)c2ccc(c(c2)(N+)(=O)(O))NC2CCCC2)C)C1=O)S(=O)(=O)N1CCOCC1
InChI=1SC31H35N5O6Sc1201622(21(2)35(20)2481028(30(1824)36(38)39)3223645723)1727261925(91129(26)33(3)31(27)37)43(4041)34121442151334h81116192332H471215H213H3b2717
MFCD07774072
ZINC000008778098
ZINC8778098
Check stock
See real-time availability and sample size for STL448689 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.