Vitas-M small molecule compound
(12aS)-6-(2-methoxyphenyl)-2-[3-(propan-2-yloxy)propyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL536728
SMILES COc1ccccc1C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCCOC(C)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 C27H31N3O4 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O4/c1-17(2)34-14-8-13-29-16-24(31)30-22(27(29)32)15-20-18-9-4-6-11-21(18)28-25(20)26(30)19-10-5-7-12-23(19)33-3/h4-7,9-12,17,22,26,28H,8,13-16H2,1-3H3/t22-,26?/m0/s1InChIKey
CECYMCFITBYIHN-CHQVSRGASA-NSynonyms
956969-71-4(12aS)2(3isopropoxypropyl)6(2methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(2methoxyphenyl)2(3(propan2yloxy)propyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(2methoxyphenyl)6(3propan2yloxypropyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401751
956969714
COc1ccccc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCCOC(C)C
InChI=1SC27H31N3O4c117(2)3414813291624(31)3022(27(29)32)1520189461121(18)2825(20)26(30)1910571223(19)333h4791217222628H81316H213H3t2226?m0s1
MFCD05676360
ZINC000002123128
ZINC000002123130
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