Vitas-M small molecule compound
methyl 4-[(12aS)-2-(2-methylpropyl)-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl]benzoate
Catalog ID
STL458031
SMILES COC(=O)c1ccc(cc1)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 C26H27N3O4 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O4/c1-15(2)13-28-14-22(30)29-21(25(28)31)12-19-18-6-4-5-7-20(18)27-23(19)24(29)16-8-10-17(11-9-16)26(32)33-3/h4-11,15,21,24,27H,12-14H2,1-3H3/t21-,24?/m0/s1InChIKey
OTFJMEARBNXNJZ-XEGCMXMBSA-NSynonyms
956954-30-64((12aS)2isobutyl14diketo671212atetrahydro3Hpyrazino(12b)$bcarbolin6yl)benzoicacidmethylester
956954306
CC(C)CN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC=C(C=C4)C(=O)OC)NC5=CC=CC=C35
COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CC(C)C
InChI=1SC26H27N3O4c115(2)13281422(30)2921(25(28)31)121918645720(18)2723(19)24(29)1681017(11916)26(32)333h41115212427H1214H213H3t2124?m0s1
methyl4((12aS)2(2methylpropyl)14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((12aS)2isobutyl14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
MFCD03661206
ZINC000002148252
ZINC000002148255
Check stock
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