Vitas-M small molecule compound
(12bS)-7-(3-methoxy-4-propoxyphenyl)-12b-methyl-2-pentyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529452
SMILES CCCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1ccc(c(c1)OC)OCCC)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 C30H37N3O4 MW 503.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H37N3O4/c1-5-7-10-15-32-19-26(34)33-18-22(20-13-14-24(37-16-6-2)25(17-20)36-4)27-21-11-8-9-12-23(21)31-28(27)30(33,3)29(32)35/h8-9,11-14,17,22,31H,5-7,10,15-16,18-19H2,1-4H3/t22?,30-/m0/s1InChIKey
DXNBQOLBXFPJCA-YBJSGSKQSA-NSynonyms
956971-19-0(12bS)7(3methoxy4propoxyphenyl)12bmethyl2pentyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(3methoxy4propoxyphenyl)12bmethyl2pentyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(3methoxy4propoxyphenyl)2methyl4pentyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402596
956971190
CCCCCN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1ccc(c(c1)OC)OCCC)cccc3
InChI=1SC30H37N3O4c1571015321926(34)331822(20131424(371662)25(1720)364)272111891223(21)3128(27)30(333)29(32)35h891114172231H571015161819H214H3t22?30m0s1
MFCD06493975
ZINC000008788895
ZINC000008788896
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