Vitas-M small molecule compound
(12aS)-6-(2-ethoxyphenyl)-2-(thiophen-2-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL536650
SMILES CCOc1ccccc1C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)Cc1cccs1
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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 C27H25N3O3S MW 471.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O3S/c1-2-33-23-12-6-4-10-19(23)26-25-20(18-9-3-5-11-21(18)28-25)14-22-27(32)29(16-24(31)30(22)26)15-17-8-7-13-34-17/h3-13,22,26,28H,2,14-16H2,1H3/t22-,26?/m0/s1InChIKey
YQYMNEGZEXNHFT-CHQVSRGASA-NSynonyms
956933-02-1(12aS)6(2ethoxyphenyl)2(thiophen2ylmethyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(2ethoxyphenyl)2(thiophen2ylmethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(2ethoxyphenyl)6(thiophen2ylmethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400543
956933021
CCOc1ccccc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1cccs1
InChI=1SC27H25N3O3Sc12332312641019(23)262520(189351121(18)2825)142227(32)29(1624(31)30(22)26)151787133417h313222628H21416H21H3t2226?m0s1
MFCD05671599
ZINC000002110903
ZINC000002110905
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