Vitas-M small molecule compound

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

Catalog ID
STL537895
SMILES COc1cc(OC)ccc1C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCC1=CCCCC1

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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 C30H33N3O4 MW 499.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O4/c1-36-20-12-13-22(26(16-20)37-2)29-28-23(21-10-6-7-11-24(21)31-28)17-25-30(35)32(18-27(34)33(25)29)15-14-19-8-4-3-5-9-19/h6-8,10-13,16,25,29,31H,3-5,9,14-15,17-18H2,1-2H3/t25-,29?/m0/s1
InChIKey
IRZABZFZUAOIGM-GMMLNUAGSA-N
Synonyms
956816-69-6
(12aS)2(2(cyclohex1en1yl)ethyl)6(24dimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(2(cyclohex1en1yl)ethyl)6(24dimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6(2(cyclohexen1yl)ethyl)2(24dimethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399817
956816696
COc1cc(OC)ccc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCC1=CCCCC1
InChI=1SC30H33N3O4c13620121322(26(1620)372)292823(2110671124(21)3128)172530(35)32(1827(34)33(25)29)1514198435919h68101316252931H35914151718H212H3t2529?m0s1
MFCD04145857
ZINC000002104428
ZINC000002104430

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Available files

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