Vitas-M small molecule compound
(12aS)-2-(1-benzylpiperidin-4-yl)-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529233
SMILES O=C1N(CC(=O)N2[C@H]1Cc1c(C2c2cccc(c2)[N+](=O)[O-])[nH]c2c1cccc2)C1CCN(CC1)Cc1ccccc1
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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 C32H31N5O4 MW 549.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N5O4/c38-29-20-35(23-13-15-34(16-14-23)19-21-7-2-1-3-8-21)32(39)28-18-26-25-11-4-5-12-27(25)33-30(26)31(36(28)29)22-9-6-10-24(17-22)37(40)41/h1-12,17,23,28,31,33H,13-16,18-20H2/t28-,31?/m0/s1InChIKey
STHHMEFBLYHIME-NPHAVVRNSA-NSynonyms
956776-31-1(12aS)2(1benzylpiperidin4yl)6(3nitrophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(1benzylpiperidin4yl)6(3nitrophenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6(1benzylpiperidin4yl)2(3nitrophenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401256
956776311
InChI=1SC32H31N5O4c38292035(23131534(161423)19217213821)32(39)2818262511451227(25)3330(26)31(36(28)29)22961024(1722)37(40)41h1121723283133H13161820H2t2831?m0s1
MFCD05673654
O=C1N(CC(=O)N2(C@H)1Cc1c(C2c2cccc(c2)(N+)(=O)(O))(nH)c2c1cccc2)C1CCN(CC1)Cc1ccccc1
ZINC000001877109
ZINC000001877111
Check stock
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Check stock on Vitas-MAvailable files
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