Vitas-M small molecule compound
(12bS)-2-cyclopentyl-7-(3-ethoxy-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
STL529302
SMILES CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)C1CCCC1
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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 C31H37N3O4 MW 515.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N3O4/c1-4-16-38-25-15-14-20(17-26(25)37-5-2)23-18-34-27(35)19-33(21-10-6-7-11-21)30(36)31(34,3)29-28(23)22-12-8-9-13-24(22)32-29/h8-9,12-15,17,21,23,32H,4-7,10-11,16,18-19H2,1-3H3/t23?,31-/m0/s1InChIKey
CONMOYBHSPVEEK-HPTWYVLESA-NSynonyms
956929-35-4(12bS)2cyclopentyl7(3ethoxy4propoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2cyclopentyl7(3ethoxy4propoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4cyclopentyl9(3ethoxy4propoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403453
956929354
CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)C1CCCC1
InChI=1SC31H37N3O4c14163825151420(1726(25)3752)23183427(35)1933(2110671121)30(36)31(343)2928(23)2212891324(22)3229h89121517212332H471011161819H213H3t23?31m0s1
MFCD06495820
ZINC000008789818
ZINC000012880264
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