Vitas-M small molecule compound

N-({2-[(11aS)-5-(3-methoxyphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]phenyl}carbonyl)-D-leucine

Catalog ID
STL529801
SMILES COc1cccc(c1)C1N2[C@@H](Cc3c1[nH]c1c3cccc1)C(=O)N(C2=O)c1ccccc1C(=O)N[C@@H](C(=O)O)CC(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 C33H32N4O6 MW 580.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N4O6/c1-18(2)15-25(32(40)41)35-30(38)22-12-5-7-14-26(22)37-31(39)27-17-23-21-11-4-6-13-24(21)34-28(23)29(36(27)33(37)42)19-9-8-10-20(16-19)43-3/h4-14,16,18,25,27,29,34H,15,17H2,1-3H3,(H,35,38)(H,40,41)/t25-,27+,29?/m1/s1
InChIKey
AAQMEKVMBSHQSI-KRYHRGCLSA-N
Synonyms
956991-62-1
(2~(R))2((2((15~(S))10(3methoxyphenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)benzoyl)amino)4methylpentanoicacid
(2R)2(2((11aS)5(3methoxyphenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzamido)4methylpentanoicacid
16405557
956991621
COc1cccc(c1)C1N2(C@@H)(Cc3c1(nH)c1c3cccc1)C(=O)N(C2=O)c1ccccc1C(=O)N(C@@H)(C(=O)O)CC(C)C
InChI=1SC33H32N4O6c118(2)1525(32(40)41)3530(38)2212571426(22)3731(39)2717232111461324(21)3428(23)29(36(27)33(37)42)19981020(1619)433h414161825272934H1517H213H3(H3538)(H4041)t2527+29?m1s1
N((2((11aS)5(3methoxyphenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)phenyl)carbonyl)Dleucine
ZINC000070704937
ZINC000070704940

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Available files

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