Vitas-M small molecule compound
(12aS)-2-(1,3-benzodioxol-5-ylmethyl)-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL542354
SMILES O=C1N(Cc2ccc3c(c2)OCO3)CC(=O)N2[C@H]1Cc1c(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 C28H23N3O4 MW 465.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O4/c32-25-15-30(14-17-10-11-23-24(12-17)35-16-34-23)28(33)22-13-20-19-8-4-5-9-21(19)29-26(20)27(31(22)25)18-6-2-1-3-7-18/h1-12,22,27,29H,13-16H2/t22-,27?/m0/s1InChIKey
CQBCGGRXHZSKFL-YMQLSTQVSA-NSynonyms
956913-78-3(12aS)2(13benzodioxol5ylmethyl)6phenyl23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(benzo(d)(13)dioxol5ylmethyl)6phenyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6(13benzodioxol5ylmethyl)2phenyl3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399269
956913783
InChI=1SC28H23N3O4c32251530(141710112324(1217)35163423)28(33)22132019845921(19)2926(20)27(31(22)25)186213718h112222729H1316H2t2227?m0s1
MFCD04142664
O=C1N(Cc2ccc3c(c2)OCO3)CC(=O)N2(C@H)1Cc1c(C2c2ccccc2)(nH)c2c1cccc2
ZINC000002153273
ZINC000002153278
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