Vitas-M small molecule compound
(2S)-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]-N-propylbutanamide
Catalog ID
STL529516
SMILES CCCNC(=O)[C@@H](N1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)C(C)C
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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 C22H28N4O3 MW 396.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O3/c1-5-11-23-19(27)17(13(2)3)26-20(28)22(4)18-15(10-12-25(22)21(26)29)14-8-6-7-9-16(14)24-18/h6-9,13,17,24H,5,10-12H2,1-4H3,(H,23,27)/t17-,22-/m0/s1InChIKey
IWUOAJHLBOUPKG-JTSKRJEESA-NSynonyms
956686-10-5(2~(S))3methyl2((2~(S))2methyl35dioxo4616triazatetracyclo(7700^(26)0^(1015))hexadeca1(9)101214tetraen4yl)~(N)propylbutanamide
(2S)3methyl2((11bS)11bmethyl13dioxo561111btetrahydro1Himidazo(1512)pyrido(34b)indol2(3H)yl)Npropylbutanamide
(S)3methyl2((S)11bmethyl13dioxo56dihydro1Himidazo(1512)pyrido(34b)indol2(3H11H11bH)yl)Npropylbutanamide
7093264
956686105
CCCNC(=O)(C@@H)(N1C(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1CC2)cccc3)C(C)C
InChI=1SC22H28N4O3c15112319(27)17(13(2)3)2620(28)22(4)1815(101225(22)21(26)29)14867916(14)2418h69131724H51012H214H3(H2327)t1722m0s1
ZINC000004082678
ZINC4082678
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