Vitas-M small molecule compound

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

Catalog ID
STL537752
SMILES CCCCN(CCCC)CCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccc(cc2)C(C)C)[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 C34H46N4O2 MW 542.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H46N4O2/c1-5-7-18-36(19-8-6-2)20-11-21-37-23-31(39)38-30(34(37)40)22-28-27-12-9-10-13-29(27)35-32(28)33(38)26-16-14-25(15-17-26)24(3)4/h9-10,12-17,24,30,33,35H,5-8,11,18-23H2,1-4H3/t30-,33?/m0/s1
InChIKey
HBKUIGBREOGUIE-JKNLKRECSA-N
Synonyms
956976-87-7
(12aS)2(3(dibutylamino)propyl)6(4(propan2yl)phenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(3(dibutylamino)propyl)6(4isopropylphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6(3(dibutylamino)propyl)2(4propan2ylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399157
956976877
CCCCN(CCCC)CCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)C(C)C)(nH)c2c1cccc2
InChI=1SC34H46N4O2c1571836(19862)201121372331(39)3830(34(37)40)222827129101329(27)3532(28)33(38)26161425(151726)24(3)4h910121724303335H58111823H214H3t3033?m0s1
MFCD03854351
ZINC000002152023
ZINC000002152024

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Available files

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