Vitas-M small molecule compound

N-({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)-D-methionine

Catalog ID
STL529839
SMILES CSCC[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 C32H30N4O5S MW 582.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N4O5S/c1-18-11-13-19(14-12-18)28-27-22(20-7-3-5-9-23(20)33-27)17-26-30(38)36(32(41)35(26)28)25-10-6-4-8-21(25)29(37)34-24(31(39)40)15-16-42-2/h3-14,24,26,28,33H,15-17H2,1-2H3,(H,34,37)(H,39,40)/t24-,26+,28?/m1/s1
InChIKey
ORRDPIAVOQQSSR-MAKPOSLASA-N
Synonyms
1173667-85-0
(2~(R))2((2((15~(S))10(4methylphenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)benzoyl)amino)4methylsulfanylbutanoicacid
(2R)2(2((11aS)13dioxo5(ptolyl)1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzamido)4(methylthio)butanoicacid
1173667850
16405679
CSCC(C@H)(C(=O)O)NC(=O)c1ccccc1N1C(=O)(C@H)2N(C1=O)C(c1ccc(cc1)C)c1c(C2)c2ccccc2(nH)1
InChI=1SC32H30N4O5Sc118111319(141218)282722(20735923(20)3327)172630(38)36(32(41)35(26)28)251064821(25)29(37)3424(31(39)40)1516422h31424262833H1517H212H3(H3437)(H3940)t2426+28?m1s1
N((2((11aS)5(4methylphenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)phenyl)carbonyl)Dmethionine
ZINC000070705347
ZINC000070705350

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.