Vitas-M small molecule compound
(12aS)-6-(2-ethoxyphenyl)-2-(3-phenylpropyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537097
SMILES CCOc1ccccc1C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCCc1ccccc1
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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 C31H31N3O3 MW 493.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O3/c1-2-37-27-17-9-7-15-23(27)30-29-24(22-14-6-8-16-25(22)32-29)19-26-31(36)33(20-28(35)34(26)30)18-10-13-21-11-4-3-5-12-21/h3-9,11-12,14-17,26,30,32H,2,10,13,18-20H2,1H3/t26-,30?/m0/s1InChIKey
WCCOIWZRZCXKKL-PKMDPOOCSA-NSynonyms
956912-91-7(12aS)6(2ethoxyphenyl)2(3phenylpropyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(2ethoxyphenyl)2(3phenylpropyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(2ethoxyphenyl)6(3phenylpropyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400110
956912917
CCOc1ccccc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCCc1ccccc1
InChI=1SC31H31N3O3c12372717971523(27)302924(2214681625(22)3229)192631(36)33(2028(35)34(26)30)18101321114351221h3911121417263032H210131820H21H3t2630?m0s1
MFCD05670863
ZINC000002108635
ZINC000002108637
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