Vitas-M small molecule compound
methyl 4-[(12aS)-2-cyclopentyl-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
STL458030
SMILES COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C1CCCC1
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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 C27H27N3O4 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4/c1-34-27(33)17-12-10-16(11-13-17)25-24-20(19-8-4-5-9-21(19)28-24)14-22-26(32)29(15-23(31)30(22)25)18-6-2-3-7-18/h4-5,8-13,18,22,25,28H,2-3,6-7,14-15H2,1H3/t22-,25?/m0/s1InChIKey
RWZQFMPQBXDISQ-XADRRFQNSA-NSynonyms
956822-75-64((12aS)2cyclopentyl14diketo671212atetrahydro3Hpyrazino(12b)$bcarbolin6yl)benzoicacidmethylester
956822756
COC(=O)C1=CC=C(C=C1)C2C3=C(CC4N2C(=O)CN(C4=O)C5CCCC5)C6=CC=CC=C6N3
COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CCCC1
InChI=1SC27H27N3O4c13427(33)17121016(111317)252420(19845921(19)2824)142226(32)29(1523(31)30(22)25)18623718h4581318222528H23671415H21H3t2225?m0s1
methyl4((12aS)2cyclopentyl14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
MFCD03661163
ZINC000002093168
ZINC000002093170
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