Vitas-M small molecule compound

(12bS)-2-(2-methoxybenzyl)-7-[3-methoxy-4-(propan-2-yloxy)phenyl]-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL529238
SMILES COc1cc(ccc1OC(C)C)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)Cc1ccccc1OC

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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 C33H35N3O5 MW 553.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35N3O5/c1-20(2)41-27-15-14-21(16-28(27)40-5)24-18-36-29(37)19-35(17-22-10-6-9-13-26(22)39-4)32(38)33(36,3)31-30(24)23-11-7-8-12-25(23)34-31/h6-16,20,24,34H,17-19H2,1-5H3/t24?,33-/m0/s1
InChIKey
PPHGZORYVUVQIG-RULBIBMZSA-N
Synonyms
956967-48-9
(12bS)2(2methoxybenzyl)7(3methoxy4(propan2yloxy)phenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(4isopropoxy3methoxyphenyl)2(2methoxybenzyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4((2methoxyphenyl)methyl)9(3methoxy4propan2yloxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16404623
956967489
COc1cc(ccc1OC(C)C)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)Cc1ccccc1OC
InChI=1SC33H35N3O5c120(2)4127151421(1628(27)405)24183629(37)1935(172210691326(22)394)32(38)33(363)3130(24)2311781225(23)3431h616202434H1719H215H3t24?33m0s1
MFCD06767647
ZINC000070700801
ZINC000070700803

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Available files

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