Vitas-M small molecule compound

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

Catalog ID
STL530497
SMILES NC(=O)C[C@@H](C(=O)O)NC(=O)c1ccccc1N1C(=O)[C@H]2N(C1=O)C(c1ccc(cc1)C)c1c(C2)c2ccccc2[nH]1

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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 C31H27N5O6 MW 565.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N5O6/c1-16-10-12-17(13-11-16)27-26-20(18-6-2-4-8-21(18)33-26)14-24-29(39)36(31(42)35(24)27)23-9-5-3-7-19(23)28(38)34-22(30(40)41)15-25(32)37/h2-13,22,24,27,33H,14-15H2,1H3,(H2,32,37)(H,34,38)(H,40,41)/t22-,24-,27?/m0/s1
InChIKey
NOJONGDQTPCESW-ZRUXRWDSSA-N
Synonyms
956961-39-0
(2~(S))4amino2((2((15~(S))10(4methylphenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)benzoyl)amino)4oxobutanoicacid
(2S)4amino2(2((11aS)13dioxo5(ptolyl)1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzamido)4oxobutanoicacid
16406344
956961390
InChI=1SC31H27N5O6c116101217(131116)272620(18624821(18)3326)142429(39)36(31(42)35(24)27)23953719(23)28(38)3422(30(40)41)1525(32)37h21322242733H1415H21H3(H23237)(H3438)(H4041)t222427?m0s1
N~2~((2((11aS)5(4methylphenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)phenyl)carbonyl)Lasparagine
NC(=O)C(C@@H)(C(=O)O)NC(=O)c1ccccc1N1C(=O)(C@H)2N(C1=O)C(c1ccc(cc1)C)c1c(C2)c2ccccc2(nH)1
ZINC000070707655
ZINC000070707657

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Available files

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