Vitas-M small molecule compound

(12bS)-2-benzyl-7-(2-methoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL533503
SMILES COc1ccccc1C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)Cc1ccccc1

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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 C29H27N3O3 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O3/c1-29-27-26(21-13-6-8-14-23(21)30-27)22(20-12-7-9-15-24(20)35-2)17-32(29)25(33)18-31(28(29)34)16-19-10-4-3-5-11-19/h3-15,22,30H,16-18H2,1-2H3/t22?,29-/m0/s1
InChIKey
BACYEXQMORHDNZ-JKDDQTOVSA-N
Synonyms
956815-79-5
(12bS)2benzyl7(2methoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2benzyl7(2methoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4benzyl9(2methoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402419
956815795
COc1ccccc1C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)Cc1ccccc1
InChI=1SC29H27N3O3c1292726(2113681423(21)3027)22(2012791524(20)352)1732(29)25(33)1831(28(29)34)1619104351119h3152230H1618H212H3t22?29m0s1
MFCD06493617
ZINC000012876900
ZINC000012876906

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Available files

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