Vitas-M small molecule compound
(12bS)-7-(4-ethylphenyl)-2-(3-methoxybenzyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL530297
SMILES CCc1ccc(cc1)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)Cc1cccc(c1)OC
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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 C31H31N3O3 MW 493.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O3/c1-4-20-12-14-22(15-13-20)25-18-34-27(35)19-33(17-21-8-7-9-23(16-21)37-3)30(36)31(34,2)29-28(25)24-10-5-6-11-26(24)32-29/h5-16,25,32H,4,17-19H2,1-3H3/t25?,31-/m0/s1InChIKey
LHJXRIOXHYYEJG-KHTLXAHUSA-NSynonyms
956980-35-1(12bS)7(4ethylphenyl)2(3methoxybenzyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(4ethylphenyl)2(3methoxybenzyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(4ethylphenyl)4((3methoxyphenyl)methyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403268
956980351
CCc1ccc(cc1)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)Cc1cccc(c1)OC
InChI=1SC31H31N3O3c1420121422(151320)25183427(35)1933(172187923(1621)373)30(36)31(342)2928(25)2410561126(24)3229h5162532H41719H213H3t25?31m0s1
MFCD06495445
ZINC000008789600
ZINC000008789601
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