Vitas-M small molecule compound
methyl N-({2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}carbonyl)valinate
Catalog ID
STL235607
SMILES COC(=O)C(C(C)C)NC(=O)c1ccc2c(c1)C(=O)N(C2=O)CCc1c[nH]c2c1cccc2
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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 C25H25N3O5 MW 447.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O5/c1-14(2)21(25(32)33-3)27-22(29)15-8-9-18-19(12-15)24(31)28(23(18)30)11-10-16-13-26-20-7-5-4-6-17(16)20/h4-9,12-14,21,26H,10-11H2,1-3H3,(H,27,29)InChIKey
NHZLCYVMDNFCPW-UHFFFAOYSA-NSynonyms
CC(C)C(C(=O)OC)NC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CCC3=CNC4=CC=CC=C43
COC(=O)C(C(C)C)NC(=O)c1ccc2c(c1)C(=O)N(C2=O)CCc1c(nH)c2c1cccc2
InChI=1SC25H25N3O5c114(2)21(25(32)333)2722(29)15891819(1215)24(31)28(23(18)30)111016132620754617(16)20h4912142126H1011H213H3(H2729)
methyl2((2(2(1Hindol3yl)ethyl)13dioxoisoindole5carbonyl)amino)3methylbutanoate
methyl2(2(2(1Hindol3yl)ethyl)13dioxoisoindoline5carboxamido)3methylbutanoate
methylN((2(2(1Hindol3yl)ethyl)13dioxo23dihydro1Hisoindol5yl)carbonyl)valinate
MFCD12208448
ZINC000020733505
ZINC000020733509
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