Vitas-M small molecule compound

methyl 4-[(12aS)-1,4-dioxo-2-(tetrahydrofuran-2-ylmethyl)-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl]benzoate

Catalog ID
STL537856
SMILES COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CC1CCCO1

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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 C27H27N3O5 MW 473.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O5/c1-34-27(33)17-10-8-16(9-11-17)25-24-20(19-6-2-3-7-21(19)28-24)13-22-26(32)29(15-23(31)30(22)25)14-18-5-4-12-35-18/h2-3,6-11,18,22,25,28H,4-5,12-15H2,1H3/t18?,22-,25?/m0/s1
InChIKey
VUQSJQSXEAXPOK-JMNVSDKBSA-N
Synonyms
956969-73-6
16401768
956969736
InChI=1SC27H27N3O5c13427(33)1710816(91117)252420(19623721(19)2824)132226(32)29(1523(31)30(22)25)141854123518h2361118222528H451215H21H3t18?2225?m0s1
methyl4((12aS)14dioxo2((tetrahydrofuran2yl)methyl)1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((12aS)14dioxo2(tetrahydrofuran2ylmethyl)1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((8~(S))47dioxo6(oxolan2ylmethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen2yl)benzoate
MFCD05676418
ZINC000002123274
ZINC000002123280

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Available files

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