Vitas-M small molecule compound

N-({2-[(11aS)-1,3-dioxo-5-[4-(propan-2-yl)phenyl]-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
STL530256
SMILES CC(C[C@H](C(=O)O)NC(=O)c1ccccc1N1C(=O)[C@H]2N(C1=O)C(c1ccc(cc1)C(C)C)c1c(C2)c2ccccc2[nH]1)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 C35H36N4O5 MW 592.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36N4O5/c1-19(2)17-27(34(42)43)37-32(40)24-10-6-8-12-28(24)39-33(41)29-18-25-23-9-5-7-11-26(23)36-30(25)31(38(29)35(39)44)22-15-13-21(14-16-22)20(3)4/h5-16,19-20,27,29,31,36H,17-18H2,1-4H3,(H,37,40)(H,42,43)/t27-,29+,31?/m1/s1
InChIKey
WTFKFJGGZKCERU-ANQMJCTNSA-N
Synonyms
956937-59-0
(2~(R))2((2((15~(S))1214dioxo10(4propan2ylphenyl)81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)benzoyl)amino)4methylpentanoicacid
(2S)2(2((11aS)5(4isopropylphenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzamido)4methylpentanoicacid
16406215
956937590
CC(C(C@@H)(C(=O)O)NC(=O)c1ccccc1N1C(=O)(C@H)2N(C1=O)C(c1ccc(cc1)C(C)C)c1c(C2)c2ccccc2(nH)1)C
InChI=1SC35H36N4O5c119(2)1727(34(42)43)3732(40)2410681228(24)3933(41)291825239571126(23)3630(25)31(38(29)35(39)44)22151321(141622)20(3)4h516192027293136H1718H214H3(H3740)(H4243)t2729+31?m1s1
N((2((11aS)13dioxo5(4(propan2yl)phenyl)561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)phenyl)carbonyl)Dleucine
ZINC000070707218
ZINC000070707221

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Available files

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