Vitas-M small molecule compound
(12aS)-6-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)ethyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL542632
SMILES COc1ccc(cc1OC)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCc1ccc(cc1)F
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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 C30H28FN3O4 MW 513.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28FN3O4/c1-37-25-12-9-19(15-26(25)38-2)29-28-22(21-5-3-4-6-23(21)32-28)16-24-30(36)33(17-27(35)34(24)29)14-13-18-7-10-20(31)11-8-18/h3-12,15,24,29,32H,13-14,16-17H2,1-2H3/t24-,29?/m0/s1InChIKey
SQAVJMUKFZOGSX-CTLOQAHHSA-NSynonyms
956197-06-1(12aS)6(34dimethoxyphenyl)2(2(4fluorophenyl)ethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)6(34dimethoxyphenyl)2(4fluorophenethyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))2(34dimethoxyphenyl)6(2(4fluorophenyl)ethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399934
956197061
COc1ccc(cc1OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCc1ccc(cc1)F
InChI=1SC30H28FN3O4c1372512919(1526(25)382)292822(21534623(21)3228)162430(36)33(1727(35)34(24)29)14131871020(31)11818h31215242932H13141617H212H3t2429?m0s1
MFCD04146558
ZINC000002107198
ZINC000002107199
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