Vitas-M small molecule compound
(12aR)-2-(3-butoxypropyl)-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL527230
SMILES CCCCOCCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2
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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 C27H31N3O3 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O3/c1-2-3-15-33-16-9-14-29-18-24(31)30-23(27(29)32)17-21-20-12-7-8-13-22(20)28-25(21)26(30)19-10-5-4-6-11-19/h4-8,10-13,23,26,28H,2-3,9,14-18H2,1H3/t23-,26?/m1/s1InChIKey
RPPFUDXGLJBGKG-GEPVFLLWSA-NSynonyms
(12aR)2(3butoxypropyl)6phenyl23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(R))6(3butoxypropyl)2phenyl3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
(S)2(3butoxypropyl)6phenyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
135639238
CCCCOCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccccc2)(nH)c2c1cccc2
InChI=1SC27H31N3O3c123153316914291824(31)3023(27(29)32)17212012781322(20)2825(21)26(30)19105461119h481013232628H2391418H21H3t2326?m1s1
ZINC000016042491
ZINC000016042492
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