Vitas-M small molecule compound

(12aS)-6-(2-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL537448
SMILES CCOc1ccccc1C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCc1c[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 C32H30N4O3 MW 518.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N4O3/c1-2-39-28-14-8-5-11-23(28)31-30-24(22-10-4-7-13-26(22)34-30)17-27-32(38)35(19-29(37)36(27)31)16-15-20-18-33-25-12-6-3-9-21(20)25/h3-14,18,27,31,33-34H,2,15-17,19H2,1H3/t27-,31?/m0/s1
InChIKey
WQLAMORNKLPGTD-LMUZMDBKSA-N
Synonyms
956933-37-2
(12aS)2(2(1Hindol3yl)ethyl)6(2ethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(2ethoxyphenyl)2(2(1Hindol3yl)ethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(2ethoxyphenyl)6(2(1~(H)indol3yl)ethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400932
956933372
CCOc1ccccc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCc1c(nH)c2c1cccc2
InChI=1SC32H30N4O3c12392814851123(28)313024(2210471326(22)3430)172732(38)35(1929(37)36(27)31)1615201833251263921(20)25h3141827313334H2151719H21H3t2731?m0s1
MFCD05672253
ZINC000002112118
ZINC000002112119

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.