Vitas-M small molecule compound
(2S)-N-(2-chlorobenzyl)-3-methyl-2-[(11bS)-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]butanamide
Catalog ID
STL533183
SMILES CC([C@H](N1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)C(=O)NCc1ccccc1Cl)C
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H27ClN4O3 MW 478.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN4O3/c1-15(2)21(23(32)28-14-16-8-4-6-10-19(16)27)31-24(33)26(3)22-18(12-13-30(26)25(31)34)17-9-5-7-11-20(17)29-22/h4-11,15,21,29H,12-14H2,1-3H3,(H,28,32)/t21-,26-/m0/s1InChIKey
KTCXMOMIASAOKU-LVXARBLLSA-NSynonyms
956999-77-2(2~(S))~(N)((2chlorophenyl)methyl)3methyl2((2~(S))2methyl35dioxo4616triazatetracyclo(7700^(26)0^(1015))hexadeca1(9)101214tetraen4yl)butanamide
(2S)N(2chlorobenzyl)3methyl2((11bS)11bmethyl13dioxo561111btetrahydro1Himidazo(1512)pyrido(34b)indol2(3H)yl)butanamide
(S)N(2chlorobenzyl)3methyl2((S)11bmethyl13dioxo56dihydro1Himidazo(1512)pyrido(34b)indol2(3H11H11bH)yl)butanamide
16402028
956999772
CC((C@H)(N1C(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1CC2)cccc3)C(=O)NCc1ccccc1Cl)C
InChI=1SC26H27ClN4O3c115(2)21(23(32)2814168461019(16)27)3124(33)26(3)2218(121330(26)25(31)34)179571120(17)2922h411152129H1214H213H3(H2832)t2126m0s1
ZINC000012873411
ZINC12873411
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