Vitas-M small molecule compound

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

Catalog ID
STL545798
SMILES COc1cc(ccc1OC(C)C)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CC(C)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 C28H33N3O4 MW 475.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O4/c1-16(2)14-30-15-25(32)31-22(28(30)33)13-20-19-8-6-7-9-21(19)29-26(20)27(31)18-10-11-23(35-17(3)4)24(12-18)34-5/h6-12,16-17,22,27,29H,13-15H2,1-5H3/t22-,27?/m0/s1
InChIKey
WFFLSZLDOYIXSH-YMQLSTQVSA-N
Synonyms
957031-91-3
(12aS)2isobutyl6(4isopropoxy3methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(3methoxy4(propan2yloxy)phenyl)2(2methylpropyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(3methoxy4propan2yloxyphenyl)6(2methylpropyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400571
957031913
COc1cc(ccc1OC(C)C)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CC(C)C
InChI=1SC28H33N3O4c116(2)14301525(32)3122(28(30)33)132019867921(19)2926(20)27(31)18101123(3517(3)4)24(1218)345h6121617222729H1315H215H3t2227?m0s1
MFCD05671647
ZINC000002111016
ZINC000002111019

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Available files

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