Vitas-M small molecule compound
methyl 4-[(12aS)-2-cyclooctyl-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
STL541676
SMILES COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C1CCCCCCC1
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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 C30H33N3O4 MW 499.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O4/c1-37-30(36)20-15-13-19(14-16-20)28-27-23(22-11-7-8-12-24(22)31-27)17-25-29(35)32(18-26(34)33(25)28)21-9-5-3-2-4-6-10-21/h7-8,11-16,21,25,28,31H,2-6,9-10,17-18H2,1H3/t25-,28?/m0/s1InChIKey
NHFLEOHVRUDGBR-ALLRNTDFSA-NSynonyms
956969-68-916401748
956969689
COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CCCCCCC1
InChI=1SC30H33N3O4c13730(36)20151319(141620)282723(2211781224(22)3127)172529(35)32(1826(34)33(25)28)219532461021h78111621252831H269101718H21H3t2528?m0s1
methyl4((12aS)2cyclooctyl14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((8~(S))6cyclooctyl47dioxo3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen2yl)benzoate
MFCD05676310
ZINC000002123006
ZINC000002123008
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