Vitas-M small molecule compound
tert-butyl [(12aS)-6,6-dimethyl-1,4-dioxo-3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]carbamate
Catalog ID
STL526628
SMILES O=C(OC(C)(C)C)NN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2
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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 C21H26N4O4 MW 398.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O4/c1-20(2,3)29-19(28)23-24-11-16(26)25-15(18(24)27)10-13-12-8-6-7-9-14(12)22-17(13)21(25,4)5/h6-9,15,22H,10-11H2,1-5H3,(H,23,28)/t15-/m0/s1InChIKey
CNVZKEHBNVIDCB-HNNXBMFYSA-NSynonyms
956048-75-2(S)tertbutyl(66dimethyl14dioxo341212atetrahydropyrazino(1216)pyrido(34b)indol2(1H6H7H)yl)carbamate
~(tert)butyl~(N)((8~(S))22dimethyl47dioxo3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen6yl)carbamate
1769560
956048752
InChI=1SC21H26N4O4c120(23)2919(28)23241116(26)2515(18(24)27)101312867914(12)2217(13)21(254)5h691522H1011H215H3(H2328)t15m0s1
MFCD03266393
O=C(OC(C)(C)C)NN1CC(=O)N2(C@H)(C1=O)Cc1c(C2(C)C)(nH)c2c1cccc2
tertbutyl((12aS)66dimethyl14dioxo34671212ahexahydropyrazino(1216)pyrido(34b)indol2(1H)yl)carbamate
ZINC000002114839
ZINC2114839
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