Vitas-M small molecule compound

methyl 2-(3-{(Z)-[1-ethyl-5-(morpholin-4-ylsulfonyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate

Catalog ID
STL448729
SMILES CCN1c2ccc(cc2/C(=C/c2cc(n(c2C)c2sc(c(c2C(=O)OC)C)C)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 C29H33N3O6S2 MW 583.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O6S2/c1-7-31-25-9-8-22(40(35,36)30-10-12-38-13-11-30)16-23(25)24(27(31)33)15-21-14-17(2)32(19(21)4)28-26(29(34)37-6)18(3)20(5)39-28/h8-9,14-16H,7,10-13H2,1-6H3/b24-15-
InChIKey
AXCSMFPKMWVRHQ-IWIPYMOSSA-N
Synonyms

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=CC4=C(N(C(=C4)C)C5=C(C(=C(S5)C)C)C(=O)OC)C)C1=O
CCN1c2ccc(cc2C(=Cc2cc(n(c2C)c2sc(c(c2C(=O)OC)C)C)C)C1=O)S(=O)(=O)N1CCOCC1
InChI=1SC29H33N3O6S2c1731259822(40(3536)30101238131130)1623(25)24(27(31)33)15211417(2)32(19(21)4)2826(29(34)376)18(3)20(5)3928h891416H71013H216H3b2415
methyl2(3((Z)(1ethyl5(morpholin4ylsulfonyl)2oxo12dihydro3Hindol3ylidene)methyl)25dimethyl1Hpyrrol1yl)45dimethylthiophene3carboxylate
METHYL2(3((Z)(1ETHYL5MORPHOLIN4YLSULFONYL2OXOINDOL3YLIDENE)METHYL)25DIMETHYLPYRROL1YL)45DIMETHYLTHIOPHENE3CARBOXYLATE
MFCD05133688
ZINC000101377492
ZINC101377492

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.