Vitas-M small molecule compound
(12bS)-7-(4-bromophenyl)-2-(3-butoxypropyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528625
SMILES CCCCOCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1ccc(cc1)Br)cccc3
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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 C28H32BrN3O3 MW 538.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32BrN3O3/c1-3-4-15-35-16-7-14-31-18-24(33)32-17-22(19-10-12-20(29)13-11-19)25-21-8-5-6-9-23(21)30-26(25)28(32,2)27(31)34/h5-6,8-13,22,30H,3-4,7,14-18H2,1-2H3/t22?,28-/m0/s1InChIKey
CPWRCVVPUQWAAV-WNWQKLGWSA-NSynonyms
956971-26-9(12bS)7(4bromophenyl)2(3butoxypropyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(4bromophenyl)2(3butoxypropyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(4bromophenyl)4(3butoxypropyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402640
956971269
CCCCOCCCN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1ccc(cc1)Br)cccc3
InChI=1SC28H32BrN3O3c134153516714311824(33)321722(19101220(29)131119)2521856923(21)3026(25)28(322)27(31)34h568132230H3471418H212H3t22?28m0s1
MFCD06494065
ZINC000070692360
ZINC000070692361
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