Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1'-[3-(dimethylammonio)propyl]-2,4',5'-trioxo-1-(prop-2-en-1-yl)-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}methanolate
Catalog ID
STK591346
SMILES C=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 C28H29N3O6 MW 503.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O6/c1-4-12-30-20-9-6-5-8-19(20)28(27(30)35)23(25(33)26(34)31(28)14-7-13-29(2)3)24(32)18-10-11-21-22(17-18)37-16-15-36-21/h4-6,8-11,17,32H,1,7,12-16H2,2-3H3/b24-23-InChIKey
AOJGNCAVOICNLQ-VHXPQNKSSA-NSynonyms
848915-48-0(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)1PROP2ENYLSPIRO(INDOLE35PYRROLIDINE)223TRIONE
(E)23dihydro14benzodioxin6yl(1(3(dimethylammonio)propyl)245trioxo1(prop2en1yl)12dihydro3Hspiro(indole32pyrrolidin)3ylidene)methanolate
(E)23dihydro14benzodioxin6yl(1(3(dimethylazaniumyl)propyl)245trioxo1prop2enylspiro(indole32pyrrolidine)3ylidene)methanolate
848915480
C(NH+)(C)CCCN1C(=O)C(=O)C(=C(C2=CC3=C(C=C2)OCCO3)(O))C14C5=CC=CC=C5N(C4=O)CC=C
C=CCN1c2ccccc2C2(C1=O)C(=C(c1ccc3c(c1)OCCO3)(O))C(=O)C(=O)N2CCC(NH+)(C)C
InChI=1SC28H29N3O6c14123020965819(20)28(27(30)35)23(25(33)26(34)31(28)1471329(2)3)24(32)1810112122(1718)3716153621h468111732H171216H223H3b2423
MFCD07209013
ZINC000101253728
ZINC000101253731
Check stock
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Check stock on Vitas-MAvailable files
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