Vitas-M small molecule compound
(12bS)-7-(3-ethoxy-4-propoxyphenyl)-2-(3-methoxypropyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL530613
SMILES CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCCOC
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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 C30H37N3O5 MW 519.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H37N3O5/c1-5-15-38-24-13-12-20(17-25(24)37-6-2)22-18-33-26(34)19-32(14-9-16-36-4)29(35)30(33,3)28-27(22)21-10-7-8-11-23(21)31-28/h7-8,10-13,17,22,31H,5-6,9,14-16,18-19H2,1-4H3/t22?,30-/m0/s1InChIKey
BNNOZGPPKRKDRR-YBJSGSKQSA-NSynonyms
956971-25-8(12bS)7(3ethoxy4propoxyphenyl)2(3methoxypropyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(3ethoxy4propoxyphenyl)2(3methoxypropyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(3ethoxy4propoxyphenyl)4(3methoxypropyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402638
956971258
CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCCOC
InChI=1SC30H37N3O5c15153824131220(1725(24)3762)22183326(34)1932(14916364)29(35)30(333)2827(22)2110781123(21)3128h781013172231H56914161819H214H3t22?30m0s1
MFCD06494062
ZINC000012877817
ZINC000012877820
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