Vitas-M small molecule compound
(12aS)-6-(3-methoxyphenyl)-2-[3-(propan-2-yloxy)propyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL538036
SMILES COc1cccc(c1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCCOC(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 C27H31N3O4 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O4/c1-17(2)34-13-7-12-29-16-24(31)30-23(27(29)32)15-21-20-10-4-5-11-22(20)28-25(21)26(30)18-8-6-9-19(14-18)33-3/h4-6,8-11,14,17,23,26,28H,7,12-13,15-16H2,1-3H3/t23-,26?/m0/s1InChIKey
HXSOYPFHHYRPNI-ZZHFZYNASA-NSynonyms
956816-99-2(12aS)2(3isopropoxypropyl)6(3methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(3methoxyphenyl)2(3(propan2yloxy)propyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(3methoxyphenyl)6(3propan2yloxypropyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399881
956816992
COc1cccc(c1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCCOC(C)C
InChI=1SC27H31N3O4c117(2)3413712291624(31)3023(27(29)32)15212010451122(20)2825(21)26(30)1886919(1418)333h468111417232628H712131516H213H3t2326?m0s1
MFCD04146241
ZINC000002105408
ZINC000002105409
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