Vitas-M small molecule compound
(12aR)-2-(4-methylbenzyl)-6-[4-(propan-2-yl)phenyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL534567
SMILES Cc1ccc(cc1)CN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccc(cc2)C(C)C)[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 C31H31N3O2 MW 477.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O2/c1-19(2)22-12-14-23(15-13-22)30-29-25(24-6-4-5-7-26(24)32-29)16-27-31(36)33(18-28(35)34(27)30)17-21-10-8-20(3)9-11-21/h4-15,19,27,30,32H,16-18H2,1-3H3/t27-,30?/m1/s1InChIKey
QVJQXVOPWZQHPZ-NHQUYOMTSA-NSynonyms
(12aR)2(4methylbenzyl)6(4(propan2yl)phenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)6(4isopropylphenyl)2(4methylbenzyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))6((4methylphenyl)methyl)2(4propan2ylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
44667647
Cc1ccc(cc1)CN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)C(C)C)(nH)c2c1cccc2
InChI=1SC31H31N3O2c119(2)22121423(151322)302925(24645726(24)3229)162731(36)33(1828(35)34(27)30)172110820(3)91121h41519273032H1618H213H3t2730?m1s1
MFCD03853834
ZINC000008738276
ZINC000008738278
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