Vitas-M small molecule compound
tert-butyl [(12aR)-6-(3-nitrophenyl)-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
STL534736
SMILES O=C(OC(C)(C)C)NN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2cccc(c2)[N+](=O)[O-])[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 C25H25N5O6 MW 491.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O6/c1-25(2,3)36-24(33)27-28-13-20(31)29-19(23(28)32)12-17-16-9-4-5-10-18(16)26-21(17)22(29)14-7-6-8-15(11-14)30(34)35/h4-11,19,22,26H,12-13H2,1-3H3,(H,27,33)/t19-,22?/m1/s1InChIKey
RSTAFMPVVFQLRI-LCQOSCCDSA-NSynonyms
~(tert)butyl~(N)((8~(R))2(3nitrophenyl)47dioxo3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen6yl)carbamate
44667913
InChI=1SC25H25N5O6c125(23)3624(33)27281320(31)2919(23(28)32)1217169451018(16)2621(17)22(29)1476815(1114)30(34)35h411192226H1213H213H3(H2733)t1922?m1s1
MFCD03660562
O=C(OC(C)(C)C)NN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)(N+)(=O)(O))(nH)c2c1cccc2
tertbutyl((12aR)6(3nitrophenyl)14dioxo34671212ahexahydropyrazino(1216)pyrido(34b)indol2(1H)yl)carbamate
tertbutyl((12aS)6(3nitrophenyl)14dioxo341212atetrahydropyrazino(1216)pyrido(34b)indol2(1H6H7H)yl)carbamate
ZINC000008771022
ZINC000016042413
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