Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1'-[3-(dimethylammonio)propyl]-1-ethyl-2,4',5'-trioxo-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}methanolate
Catalog ID
STK569418
SMILES CCN1c2ccccc2C2(C1=O)/C(=C(/c1ccc3c(c1)OCCO3)\[O-])/C(=O)C(=O)N2CCC[NH+](C)C
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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 C27H29N3O6 MW 491.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O6/c1-4-29-19-9-6-5-8-18(19)27(26(29)34)22(24(32)25(33)30(27)13-7-12-28(2)3)23(31)17-10-11-20-21(16-17)36-15-14-35-20/h5-6,8-11,16,31H,4,7,12-15H2,1-3H3/b23-22-InChIKey
JHCOIVSOEOQYKR-FCQUAONHSA-NSynonyms
844462-65-3(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)1ETHYLSPIRO(INDOLE35PYRROLIDINE)223TRIONE
(E)23dihydro14benzodioxin6yl(1(3(dimethylammonio)propyl)1ethyl245trioxo12dihydro3Hspiro(indole32pyrrolidin)3ylidene)methanolate
844462653
CCN1C2=CC=CC=C2C3(C1=O)C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C(=O)N3CCCN(C)C
CCN1c2ccccc2C2(C1=O)C(=C(c1ccc3c(c1)OCCO3)(O))C(=O)C(=O)N2CCC(NH+)(C)C
InChI=1SC27H29N3O6c142919965818(19)27(26(29)34)22(24(32)25(33)30(27)1371228(2)3)23(31)1710112021(1617)3615143520h568111631H471215H213H3b2322
MFCD07201304
ZINC000102557406
ZINC000102557412
Check stock
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