Vitas-M small molecule compound
ethyl 5-{2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy}-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate
Catalog ID
STK944912
SMILES OCCN1CCN(CC1)CC(COc1ccc2c(c1)c(C(=O)OCC)c(n2c1ccc(cc1)C)C)O
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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 C28H37N3O5 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37N3O5/c1-4-35-28(34)27-21(3)31(22-7-5-20(2)6-8-22)26-10-9-24(17-25(26)27)36-19-23(33)18-30-13-11-29(12-14-30)15-16-32/h5-10,17,23,32-33H,4,11-16,18-19H2,1-3H3InChIKey
GAOPGHYDLUUTBF-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCN(CC3)CCO)O)C4=CC=C(C=C4)C)C
ethyl5(2hydroxy3(4(2hydroxyethyl)piperazin1yl)propoxy)2methyl1(4methylphenyl)1Hindole3carboxylate
ETHYL5(2HYDROXY3(4(2HYDROXYETHYL)PIPERAZIN1YL)PROPOXY)2METHYL1(4METHYLPHENYL)INDOLE3CARBOXYLATE
ETHYL5(2HYDROXY3(4(2HYDROXYETHYL)PIPERAZINYL)PROPOXY)2METHYL1(4METHYLPHENYL)INDOLE3CARBOXYLATE
InChI=1SC28H37N3O5c143528(34)2721(3)31(227520(2)6822)2610924(1725(26)27)361923(33)1830131129(121430)151632h51017233233H411161819H213H3
MFCD03644434
ZINC000020031664
ZINC000020031669
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