Vitas-M small molecule compound
(12aS)-2-cyclopropyl-6-[3-methoxy-4-(propan-2-yloxy)phenyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL548464
SMILES COc1cc(ccc1OC(C)C)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C1CC1
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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 C27H29N3O4 MW 459.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4/c1-15(2)34-22-11-8-16(12-23(22)33-3)26-25-19(18-6-4-5-7-20(18)28-25)13-21-27(32)29(17-9-10-17)14-24(31)30(21)26/h4-8,11-12,15,17,21,26,28H,9-10,13-14H2,1-3H3/t21-,26?/m0/s1InChIKey
HXNLIXSCBNHMLQ-GVNKFJBHSA-NSynonyms
956944-62-0(12aS)2cyclopropyl6(3methoxy4(propan2yloxy)phenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2cyclopropyl6(4isopropoxy3methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6cyclopropyl2(3methoxy4propan2yloxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400802
956944620
COc1cc(ccc1OC(C)C)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CC1
InChI=1SC27H29N3O4c115(2)342211816(1223(22)333)262519(18645720(18)2825)132127(32)29(1791017)1424(31)30(21)26h4811121517212628H9101314H213H3t2126?m0s1
MFCD05672048
ZINC000002111782
ZINC000002111784
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