Vitas-M small molecule compound
methyl 5-bromo-3-[({1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}acetyl)amino]-1H-indole-2-carboxylate
Catalog ID
STL053776
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c(C1CN1C(=O)c4c(C1=O)cccc4)cccc3)cc(cc2)Br
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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 C30H25BrN4O5 MW 601.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25BrN4O5/c1-40-30(39)27-26(22-14-18(31)10-11-23(22)32-27)33-25(36)16-34-13-12-17-6-2-3-7-19(17)24(34)15-35-28(37)20-8-4-5-9-21(20)29(35)38/h2-11,14,24,32H,12-13,15-16H2,1H3,(H,33,36)InChIKey
VFCQAIROYJMGOO-UHFFFAOYSA-NSynonyms
COC(=O)c1(nH)c2c(c1NC(=O)CN1CCc3c(C1CN1C(=O)c4c(C1=O)cccc4)cccc3)cc(cc2)Br
COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CN3CCC4=CC=CC=C4C3CN5C(=O)C6=CC=CC=C6C5=O
InChI=1SC30H25BrN4O5c14030(39)2726(221418(31)101123(22)3227)3325(36)1634131217623719(17)24(34)153528(37)20845921(20)29(35)38h211142432H12131516H21H3(H3336)
methyl5bromo3(((1((13dioxo13dihydro2Hisoindol2yl)methyl)34dihydroisoquinolin2(1H)yl)acetyl)amino)1Hindole2carboxylate
METHYL5BROMO3((2(1((13DIOXOISOINDOL2YL)METHYL)34DIHYDRO1HISOQUINOLIN2YL)ACETYL)AMINO)1HINDOLE2CARBOXYLATE
methyl5bromo3(2(1((13dioxoisoindolin2yl)methyl)34dihydroisoquinolin2(1H)yl)acetamido)1Hindole2carboxylate
MFCD02238914
ZINC000102188276
ZINC000102188283
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