Vitas-M small molecule compound

(12aS)-6-(2,4-dimethoxyphenyl)-2-(2-methylpropyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL537462
SMILES COc1ccc(c(c1)OC)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CC(C)C

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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 C26H29N3O4 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O4/c1-15(2)13-28-14-23(30)29-21(26(28)31)12-19-17-7-5-6-8-20(17)27-24(19)25(29)18-10-9-16(32-3)11-22(18)33-4/h5-11,15,21,25,27H,12-14H2,1-4H3/t21-,25?/m0/s1
InChIKey
CNTURQDTTYMYSJ-BWDMCYIDSA-N
Synonyms
956932-85-7
(12aS)6(24dimethoxyphenyl)2(2methylpropyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)6(24dimethoxyphenyl)2isobutyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))2(24dimethoxyphenyl)6(2methylpropyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399266
956932857
COc1ccc(c(c1)OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CC(C)C
InChI=1SC26H29N3O4c115(2)13281423(30)2921(26(28)31)121917756820(17)2724(19)25(29)1810916(323)1122(18)334h51115212527H1214H214H3t2125?m0s1
MFCD04142635
ZINC000002153179
ZINC000002153181

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Available files

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