Vitas-M small molecule compound
(12aS)-6-(4-ethoxy-3-methoxyphenyl)-2-(2-methylpropyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537691
SMILES CCOc1ccc(cc1OC)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CC(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/c1-5-34-22-11-10-17(12-23(22)33-4)26-25-19(18-8-6-7-9-20(18)28-25)13-21-27(32)29(14-16(2)3)15-24(31)30(21)26/h6-12,16,21,26,28H,5,13-15H2,1-4H3/t21-,26?/m0/s1InChIKey
YIENDPXLVVTARO-GVNKFJBHSA-NSynonyms
956942-87-3(12aS)6(4ethoxy3methoxyphenyl)2(2methylpropyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)6(4ethoxy3methoxyphenyl)2isobutyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))2(4ethoxy3methoxyphenyl)6(2methylpropyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401130
956942873
CCOc1ccc(cc1OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CC(C)C
InChI=1SC27H31N3O4c153422111017(1223(22)334)262519(18867920(18)2825)132127(32)29(1416(2)3)1524(31)30(21)26h61216212628H51315H214H3t2126?m0s1
MFCD05672992
ZINC000002113905
ZINC000002113907
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