Vitas-M small molecule compound
(12bS)-2-benzyl-7-(2,3-dimethoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL533238
SMILES COc1c(OC)cccc1C1CN2C(=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 C30H29N3O4 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O4/c1-30-28-26(21-12-7-8-14-23(21)31-28)22(20-13-9-15-24(36-2)27(20)37-3)17-33(30)25(34)18-32(29(30)35)16-19-10-5-4-6-11-19/h4-15,22,31H,16-18H2,1-3H3/t22?,30-/m0/s1InChIKey
SKMQWLXFINUXBD-YBJSGSKQSA-NSynonyms
956812-73-0(12bS)2benzyl7(23dimethoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2benzyl7(23dimethoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4benzyl9(23dimethoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402082
956812730
COc1c(OC)cccc1C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)Cc1ccccc1
InChI=1SC30H29N3O4c1302826(2112781423(21)3128)22(201391524(362)27(20)373)1733(30)25(34)1832(29(30)35)1619105461119h4152231H1618H213H3t22?30m0s1
MFCD06492849
ZINC000012873893
ZINC000012873900
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