Vitas-M small molecule compound
(12aS)-2-[2-(cyclohex-1-en-1-yl)ethyl]-6-(2-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL546672
SMILES COc1ccccc1C1N2C(=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 C29H31N3O3 MW 469.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3/c1-35-25-14-8-6-12-21(25)28-27-22(20-11-5-7-13-23(20)30-27)17-24-29(34)31(18-26(33)32(24)28)16-15-19-9-3-2-4-10-19/h5-9,11-14,24,28,30H,2-4,10,15-18H2,1H3/t24-,28?/m0/s1InChIKey
XJZORARTKVJYAG-ZZDYIDRTSA-NSynonyms
956998-81-5(12aS)2(2(cyclohex1en1yl)ethyl)6(2methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(2(cyclohex1en1yl)ethyl)6(2methoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6(2(cyclohexen1yl)ethyl)2(2methoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401379
956998815
COc1ccccc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCC1=CCCCC1
InChI=1SC29H31N3O3c1352514861221(25)282722(2011571323(20)3027)172429(34)31(1826(33)32(24)28)16151993241019h591114242830H24101518H21H3t2428?m0s1
MFCD05674293
ZINC000002118606
ZINC000008952243
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