Vitas-M small molecule compound
(12bS)-2-cyclopentyl-7-(2-ethoxy-3-methoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528678
SMILES CCOc1c(OC)cccc1C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)C1CCCC1
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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 C29H33N3O4 MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O4/c1-4-36-26-19(13-9-15-23(26)35-3)21-16-32-24(33)17-31(18-10-5-6-11-18)28(34)29(32,2)27-25(21)20-12-7-8-14-22(20)30-27/h7-9,12-15,18,21,30H,4-6,10-11,16-17H2,1-3H3/t21?,29-/m0/s1InChIKey
FFDHTCIIWWJBRP-TXMUIZFDSA-NSynonyms
956953-60-9(12bS)2cyclopentyl7(2ethoxy3methoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2cyclopentyl7(2ethoxy3methoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4cyclopentyl9(2ethoxy3methoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402275
956953609
CCOc1c(OC)cccc1C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)C1CCCC1
InChI=1SC29H33N3O4c14362619(1391523(26)353)21163224(33)1731(1810561118)28(34)29(322)2725(21)2012781422(20)3027h791215182130H4610111617H213H3t21?29m0s1
MFCD06493296
ZINC000012875701
ZINC000012875706
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