Vitas-M small molecule compound
methyl 4-[(12aS)-2-(3-methylbutyl)-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
STL457912
SMILES COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCC(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 C27H29N3O4 MW 459.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4/c1-16(2)12-13-29-15-23(31)30-22(26(29)32)14-20-19-6-4-5-7-21(19)28-24(20)25(30)17-8-10-18(11-9-17)27(33)34-3/h4-11,16,22,25,28H,12-15H2,1-3H3/t22-,25?/m0/s1InChIKey
BJQLBWAXIBWNSS-XADRRFQNSA-NSynonyms
956954-49-74((12aS)2isoamyl14diketo671212atetrahydro3Hpyrazino(12b)$bcarbolin6yl)benzoicacidmethylester
956954497
CC(C)CCN1CC(=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)CCC(C)C
InChI=1SC27H29N3O4c116(2)1213291523(31)3022(26(29)32)142019645721(19)2824(20)25(30)1781018(11917)27(33)343h41116222528H1215H213H3t2225?m0s1
methyl4((12aS)2(3methylbutyl)14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((12aS)2isopentyl14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
MFCD03661655
ZINC000002149425
ZINC000002149427
Check stock
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