Vitas-M small molecule compound

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

Catalog ID
STL537196
SMILES CCOc1ccc(cc1OC)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCC(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 C28H33N3O4 MW 475.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O4/c1-5-35-23-11-10-18(14-24(23)34-4)27-26-20(19-8-6-7-9-21(19)29-26)15-22-28(33)30(13-12-17(2)3)16-25(32)31(22)27/h6-11,14,17,22,27,29H,5,12-13,15-16H2,1-4H3/t22-,27?/m0/s1
InChIKey
SBNCKWKTWGGIEU-YMQLSTQVSA-N
Synonyms
956913-99-8
(12aS)6(4ethoxy3methoxyphenyl)2(3methylbutyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)6(4ethoxy3methoxyphenyl)2isopentyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))2(4ethoxy3methoxyphenyl)6(3methylbutyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401601
956913998
CCOc1ccc(cc1OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCC(C)C
InChI=1SC28H33N3O4c153523111018(1424(23)344)272620(19867921(19)2926)152228(33)30(131217(2)3)1625(32)31(22)27h6111417222729H512131516H214H3t2227?m0s1
MFCD05675511
ZINC000002120500
ZINC000002120502

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Available files

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