Vitas-M small molecule compound
(12aR)-2-[3-(1H-imidazol-1-yl)propyl]-6-(2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL527967
SMILES O=C1CN(CCCn2cncc2)C(=O)[C@@H]2N1C(CCc1ccccc1)c1c(C2)c2c([nH]1)cccc2
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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 C28H29N5O2 MW 467.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O2/c34-26-18-32(15-6-14-31-16-13-29-19-31)28(35)25-17-22-21-9-4-5-10-23(21)30-27(22)24(33(25)26)12-11-20-7-2-1-3-8-20/h1-5,7-10,13,16,19,24-25,30H,6,11-12,14-15,17-18H2/t24?,25-/m1/s1InChIKey
DMUZCDMMPKCMTN-WUBHUQEYSA-NSynonyms
(12aR)2(3(1Himidazol1yl)propyl)6(2phenylethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(3(1Himidazol1yl)propyl)6phenethyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))6(3imidazol1ylpropyl)2(2phenylethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
135639344
InChI=1SC28H29N5O2c34261832(15614311613291931)28(35)251722219451023(21)3027(22)24(33(25)26)1211207213820h15710131619242530H6111214151718H2t24?25m1s1
MFCD03661671
O=C1CN(CCCn2cncc2)C(=O)(C@H)2N1C(CCc1ccccc1)c1c(C2)c2c((nH)1)cccc2
ZINC000016031370
ZINC000016031372
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