Vitas-M small molecule compound

(12aS)-6-(4-nitrophenyl)-2-[3-(propan-2-yloxy)propyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL529477
SMILES CC(OCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccc(cc2)[N+](=O)[O-])[nH]c2c1cccc2)C

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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 C26H28N4O5 MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O5/c1-16(2)35-13-5-12-28-15-23(31)29-22(26(28)32)14-20-19-6-3-4-7-21(19)27-24(20)25(29)17-8-10-18(11-9-17)30(33)34/h3-4,6-11,16,22,25,27H,5,12-15H2,1-2H3/t22-,25?/m0/s1
InChIKey
QWOCTLVLSFTXMA-XADRRFQNSA-N
Synonyms
956970-95-9
(12aS)2(3isopropoxypropyl)6(4nitrophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(4nitrophenyl)2(3(propan2yloxy)propyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(4nitrophenyl)6(3propan2yloxypropyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401674
956970959
CC(OCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)(N+)(=O)(O))(nH)c2c1cccc2)C
InChI=1SC26H28N4O5c116(2)3513512281523(31)2922(26(28)32)142019634721(19)2724(20)25(29)1781018(11917)30(33)34h3461116222527H51215H212H3t2225?m0s1
MFCD05675910
ZINC000002122030
ZINC000002122032

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Available files

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