Vitas-M small molecule compound

(12aR)-2-[2-(3,4-dimethoxyphenyl)ethyl]-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
STL527767
SMILES COc1ccc(cc1OC)CCN1CC(=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 C33H35N3O4 MW 537.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35N3O4/c1-20(2)22-10-12-23(13-11-22)32-31-25(24-7-5-6-8-26(24)34-31)18-27-33(38)35(19-30(37)36(27)32)16-15-21-9-14-28(39-3)29(17-21)40-4/h5-14,17,20,27,32,34H,15-16,18-19H2,1-4H3/t27-,32?/m1/s1
InChIKey
DTBZONZOYINZGP-XIDOUCRZSA-N
Synonyms

(12aR)2(2(34dimethoxyphenyl)ethyl)6(4(propan2yl)phenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(34dimethoxyphenethyl)6(4isopropylphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))6(2(34dimethoxyphenyl)ethyl)2(4propan2ylphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
135639309
COc1ccc(cc1OC)CCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)C(C)C)(nH)c2c1cccc2
InChI=1SC33H35N3O4c120(2)22101223(131122)323125(24756826(24)3431)182733(38)35(1930(37)36(27)32)16152191428(393)29(1721)404h5141720273234H15161819H214H3t2732?m1s1
MFCD03661892
ZINC000104728282
ZINC000104728287

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Available files

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