Vitas-M small molecule compound

(12bS)-7-(3-methoxy-4-propoxyphenyl)-12b-methyl-2-(tetrahydrofuran-2-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL529421
SMILES CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CC1CCCO1

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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 C30H35N3O5 MW 517.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35N3O5/c1-4-13-38-24-12-11-19(15-25(24)36-3)22-17-33-26(34)18-32(16-20-8-7-14-37-20)29(35)30(33,2)28-27(22)21-9-5-6-10-23(21)31-28/h5-6,9-12,15,20,22,31H,4,7-8,13-14,16-18H2,1-3H3/t20?,22?,30-/m0/s1
InChIKey
HYJPYONDUNAELM-DHEXMDGUSA-N
Synonyms
956951-74-9
(12bS)7(3methoxy4propoxyphenyl)12bmethyl2((tetrahydrofuran2yl)methyl)2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(12bS)7(3methoxy4propoxyphenyl)12bmethyl2(tetrahydrofuran2ylmethyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(2~(S))9(3methoxy4propoxyphenyl)2methyl4(oxolan2ylmethyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402016
956951749
CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CC1CCCO1
InChI=1SC30H35N3O5c14133824121119(1525(24)363)22173326(34)1832(162087143720)29(35)30(332)2827(22)219561023(21)3128h5691215202231H47813141618H213H3t20?22?30m0s1
MFCD06492722
ZINC000012873269
ZINC000012873289

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Available files

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