Vitas-M small molecule compound
(12aR)-2-[3-(diethylamino)propyl]-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL527706
SMILES CCN(CCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2cccc(c2)[N+](=O)[O-])[nH]c2c1cccc2)CC
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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 C27H31N5O4 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N5O4/c1-3-29(4-2)13-8-14-30-17-24(33)31-23(27(30)34)16-21-20-11-5-6-12-22(20)28-25(21)26(31)18-9-7-10-19(15-18)32(35)36/h5-7,9-12,15,23,26,28H,3-4,8,13-14,16-17H2,1-2H3/t23-,26?/m1/s1InChIKey
IIIFDCYKXMYQHI-GEPVFLLWSA-NSynonyms
(12aR)2(3(diethylamino)propyl)6(3nitrophenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(3(diethylamino)propyl)6(3nitrophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))6(3(diethylamino)propyl)2(3nitrophenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
44667471
CCN(CCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)(N+)(=O)(O))(nH)c2c1cccc2)CC
InChI=1SC27H31N5O4c1329(42)13814301724(33)3123(27(30)34)16212011561222(20)2825(21)26(31)18971019(1518)32(35)36h5791215232628H34813141617H212H3t2326?m1s1
MFCD03660866
ZINC000009170437
ZINC000016042192
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