Vitas-M small molecule compound
methyl 4-chloro-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
STL051245
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c(C1CN1C(=O)c4c(C1=O)cccc4)cccc3)c(Cl)ccc2
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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 C30H25ClN4O5 MW 557.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25ClN4O5/c1-40-30(39)27-26(25-21(31)11-6-12-22(25)32-27)33-24(36)16-34-14-13-17-7-2-3-8-18(17)23(34)15-35-28(37)19-9-4-5-10-20(19)29(35)38/h2-12,23,32H,13-16H2,1H3,(H,33,36)InChIKey
DETVULHEHMFFCV-UHFFFAOYSA-NSynonyms
COC(=O)c1(nH)c2c(c1NC(=O)CN1CCc3c(C1CN1C(=O)c4c(C1=O)cccc4)cccc3)c(Cl)ccc2
COC(=O)C1=C(C2=C(N1)C=CC=C2Cl)NC(=O)CN3CCC4=CC=CC=C4C3CN5C(=O)C6=CC=CC=C6C5=O
InChI=1SC30H25ClN4O5c14030(39)2726(2521(31)1161222(25)3227)3324(36)1634141317723818(17)23(34)153528(37)199451020(19)29(35)38h2122332H1316H21H3(H3336)
methyl4chloro3(((1((13dioxo13dihydro2Hisoindol2yl)methyl)34dihydroisoquinolin2(1H)yl)acetyl)amino)1Hindole2carboxylate
METHYL4CHLORO3((2(1((13DIOXOISOINDOL2YL)METHYL)34DIHYDRO1HISOQUINOLIN2YL)ACETYL)AMINO)1HINDOLE2CARBOXYLATE
methyl4chloro3(2(1((13dioxoisoindolin2yl)methyl)34dihydroisoquinolin2(1H)yl)acetamido)1Hindole2carboxylate
MFCD05724575
ZINC000001271207
ZINC000001271208
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