Vitas-M small molecule compound

N-({2-[(11aS)-5-(4-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)-S-methyl-L-cysteine

Catalog ID
STL532170
SMILES CSC[C@@H](C(=O)O)NC(=O)c1ccccc1N1C(=O)[C@H]2N(C1=O)C(c1ccc(cc1)OC)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 C31H28N4O6S MW 584.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O6S/c1-41-18-13-11-17(12-14-18)27-26-21(19-7-3-5-9-22(19)32-26)15-25-29(37)35(31(40)34(25)27)24-10-6-4-8-20(24)28(36)33-23(16-42-2)30(38)39/h3-14,23,25,27,32H,15-16H2,1-2H3,(H,33,36)(H,38,39)/t23-,25-,27?/m0/s1
InChIKey
JOYRGVYFBKGKCR-HUSGHDHESA-N
Synonyms
956991-40-5
(2~(R))2((2((15~(S))10(4methoxyphenyl)1214dioxo81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraen13yl)benzoyl)amino)3methylsulfanylpropanoicacid
(2R)2(2((11aS)5(4methoxyphenyl)13dioxo1111adihydro1Himidazo(1516)pyrido(34b)indol2(3H5H6H)yl)benzamido)3(methylthio)propanoicacid
16405456
956991405
CSC(C@@H)(C(=O)O)NC(=O)c1ccccc1N1C(=O)(C@H)2N(C1=O)C(c1ccc(cc1)OC)c1c(C2)c2ccccc2(nH)1
InChI=1SC31H28N4O6Sc14118131117(121418)272621(19735922(19)3226)152529(37)35(31(40)34(25)27)241064820(24)28(36)3323(16422)30(38)39h31423252732H1516H212H3(H3336)(H3839)t232527?m0s1
N((2((11aS)5(4methoxyphenyl)13dioxo561111atetrahydro1Himidazo(1516)pyrido(34b)indol2(3H)yl)phenyl)carbonyl)SmethylLcysteine
ZINC000070704650
ZINC000070704654

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Available files

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