Vitas-M small molecule compound
(12aR)-6-(3-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
STL534634
SMILES CC(OCCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2cccc(c2)[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)35-12-6-11-28-15-23(31)29-22(26(28)32)14-20-19-9-3-4-10-21(19)27-24(20)25(29)17-7-5-8-18(13-17)30(33)34/h3-5,7-10,13,16,22,25,27H,6,11-12,14-15H2,1-2H3/t22-,25?/m1/s1InChIKey
IXEHLVFPWLHLSR-UFUCKMQHSA-NSynonyms
(12aR)6(3nitrophenyl)2(3(propan2yloxy)propyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(3isopropoxypropyl)6(3nitrophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))2(3nitrophenyl)6(3propan2yloxypropyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
44667828
CC(OCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)(N+)(=O)(O))(nH)c2c1cccc2)C
InChI=1SC26H28N4O5c116(2)3512611281523(31)2922(26(28)32)1420199341021(19)2724(20)25(29)1775818(1317)30(33)34h357101316222527H611121415H212H3t2225?m1s1
MFCD03660477
ZINC000008768101
ZINC000008768104
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