Vitas-M small molecule compound
(12bS)-2-(2-hydroxyethyl)-7-(3-methoxy-4-propoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528621
SMILES CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCO
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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 C27H31N3O5 MW 477.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O5/c1-4-13-35-21-10-9-17(14-22(21)34-3)19-15-30-23(32)16-29(11-12-31)26(33)27(30,2)25-24(19)18-7-5-6-8-20(18)28-25/h5-10,14,19,28,31H,4,11-13,15-16H2,1-3H3/t19?,27-/m0/s1InChIKey
KAUMSNXQDPMGNS-NZVRHLSZSA-NSynonyms
956819-85-5(12bS)2(2hydroxyethyl)7(3methoxy4propoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(2hydroxyethyl)7(3methoxy4propoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4(2hydroxyethyl)9(3methoxy4propoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402756
956819855
CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCO
InChI=1SC27H31N3O5c1413352110917(1422(21)343)19153023(32)1629(111231)26(33)27(302)2524(19)18756820(18)2825h51014192831H411131516H213H3t19?27m0s1
MFCD06494328
ZINC000008789084
ZINC000008789085
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