Vitas-M small molecule compound
(12aS)-6-(2,5-dimethoxyphenyl)-2-(4-methylcyclohexyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537730
SMILES COc1ccc(cc1C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C1CCC(CC1)C)OC
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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/c1-17-8-10-18(11-9-17)31-16-26(33)32-24(29(31)34)15-21-20-6-4-5-7-23(20)30-27(21)28(32)22-14-19(35-2)12-13-25(22)36-3/h4-7,12-14,17-18,24,28,30H,8-11,15-16H2,1-3H3/t17?,18?,24-,28?/m0/s1InChIKey
UIJRIVDBSAZYHG-VXVSSJAOSA-NSynonyms
1212438-83-9(12aS)6(25dimethoxyphenyl)2(4methylcyclohexyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(25dimethoxyphenyl)2(4methylcyclohexyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(25dimethoxyphenyl)6(4methylcyclohexyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
1212438839
16399606
COc1ccc(cc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CCC(CC1)C)OC
InChI=1SC29H33N3O4c11781018(11917)311626(33)3224(29(31)34)152120645723(20)3027(21)28(32)221419(352)121325(22)363h4712141718242830H8111516H213H3t17?18?2428?m0s1
MFCD04144611
ZINC000002102065
ZINC000002102067
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