Vitas-M small molecule compound
(12aS)-6-(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
STL537463
SMILES COc1cccc(c1)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 C26H29N3O3 MW 431.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O3/c1-16(2)11-12-28-15-23(30)29-22(26(28)31)14-20-19-9-4-5-10-21(19)27-24(20)25(29)17-7-6-8-18(13-17)32-3/h4-10,13,16,22,25,27H,11-12,14-15H2,1-3H3/t22-,25?/m0/s1InChIKey
ZRMGYFFYBVKXNF-XADRRFQNSA-NSynonyms
956942-02-2(12aS)2isopentyl6(3methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(3methoxyphenyl)2(3methylbutyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(3methoxyphenyl)6(3methylbutyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399503
956942022
COc1cccc(c1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCC(C)C
InChI=1SC26H29N3O3c116(2)1112281523(30)2922(26(28)31)1420199451021(19)2724(20)25(29)1776818(1317)323h4101316222527H11121415H213H3t2225?m0s1
MFCD04144063
ZINC000002100701
ZINC000002100703
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