Vitas-M small molecule compound

(3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(tetrahydrofuran-2-ylmethyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione

Catalog ID
STK599593
SMILES CCCCN1c2ccccc2C2(C1=O)/C(=C(/c1ccc3c(c1)OCCO3)\O)/C(=O)C(=O)N2CC1CCCO1

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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 C29H30N2O7 MW 518.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O7/c1-2-3-12-30-21-9-5-4-8-20(21)29(28(30)35)24(26(33)27(34)31(29)17-19-7-6-13-36-19)25(32)18-10-11-22-23(16-18)38-15-14-37-22/h4-5,8-11,16,19,32H,2-3,6-7,12-15,17H2,1H3/b25-24-
InChIKey
DNXZWSFFMAROKN-IZHYLOQSSA-N
Synonyms
848219-83-0
(3E)1butyl3(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(tetrahydrofuran2ylmethyl)spiro(indole32pyrrolidine)245(1H)trione
(4E)1BUTYL4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(OXOLAN2YLMETHYL)SPIRO(INDOLE35PYRROLIDINE)223TRIONE
848219830
CCCCN1C2=CC=CC=C2C3(C1=O)C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C(=O)N3CC6CCCO6
CCCCN1c2ccccc2C2(C1=O)C(=C(c1ccc3c(c1)OCCO3)O)C(=O)C(=O)N2CC1CCCO1
InChI=1SC29H30N2O7c123123021954820(21)29(28(30)35)24(26(33)27(34)31(29)171976133619)25(32)1810112223(1618)3815143722h45811161932H2367121517H21H3b2524
MFCD07203440
ZINC000102627626
ZINC000102682320

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Available files

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