Vitas-M small molecule compound
(12bS)-2-(butan-2-yl)-7-(3-ethoxy-4-propoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL533251
SMILES CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)C(CC)C
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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/c1-6-15-37-24-14-13-20(16-25(24)36-8-3)22-17-33-26(34)18-32(19(4)7-2)29(35)30(33,5)28-27(22)21-11-9-10-12-23(21)31-28/h9-14,16,19,22,31H,6-8,15,17-18H2,1-5H3/t19?,22?,30-/m0/s1InChIKey
HBUXZWLCRAOQDJ-AQHUEYBPSA-NSynonyms
956910-93-3(12bS)2(butan2yl)7(3ethoxy4propoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(secbutyl)7(3ethoxy4propoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4butan2yl9(3ethoxy4propoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403553
956910933
CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)C(CC)C
InChI=1SC30H37N3O4c16153724141320(1625(24)3683)22173326(34)1832(19(4)72)29(35)30(335)2827(22)21119101223(21)3128h91416192231H68151718H215H3t19?22?30m0s1
MFCD06496042
ZINC000008789900
ZINC000008789904
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