Vitas-M small molecule compound
(12bS)-2-(2-hydroxy-2-phenylethyl)-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
STL529821
SMILES COc1ccccc1C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CC(c1ccccc1)O
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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/c1-30-28-27(21-13-6-8-14-23(21)31-28)22(20-12-7-9-15-25(20)37-2)16-33(30)26(35)18-32(29(30)36)17-24(34)19-10-4-3-5-11-19/h3-15,22,24,31,34H,16-18H2,1-2H3/t22?,24?,30-/m0/s1InChIKey
IICKFLILYGIDHP-XUOXIDSFSA-NSynonyms
956197-49-2(12bS)2(2hydroxy2phenylethyl)7(2methoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(2hydroxy2phenylethyl)7(2methoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4(2hydroxy2phenylethyl)9(2methoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403058
956197492
COc1ccccc1C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CC(c1ccccc1)O
InChI=1SC30H29N3O4c1302827(2113681423(21)3128)22(2012791525(20)372)1633(30)26(35)1832(29(30)36)1724(34)19104351119h31522243134H1618H212H3t22?24?30m0s1
MFCD06495003
ZINC000008789347
ZINC000012879012
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