Vitas-M small molecule compound
(12aS)-6-[3-methoxy-4-(propan-2-yloxy)phenyl]-2-(propan-2-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL547460
SMILES COc1cc(ccc1OC(C)C)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C(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/c1-15(2)29-14-24(31)30-21(27(29)32)13-19-18-8-6-7-9-20(18)28-25(19)26(30)17-10-11-22(34-16(3)4)23(12-17)33-5/h6-12,15-16,21,26,28H,13-14H2,1-5H3/t21-,26?/m0/s1InChIKey
WVTCFVMWLOOPDX-GVNKFJBHSA-NSynonyms
957044-27-8(12aS)6(3methoxy4(propan2yloxy)phenyl)2(propan2yl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)6(4isopropoxy3methoxyphenyl)2isopropyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))2(3methoxy4propan2yloxyphenyl)6propan2yl3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400690
957044278
COc1cc(ccc1OC(C)C)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C(C)C
InChI=1SC27H31N3O4c115(2)291424(31)3021(27(29)32)131918867920(18)2825(19)26(30)17101122(3416(3)4)23(1217)335h6121516212628H1314H215H3t2126?m0s1
MFCD05671840
ZINC000002111361
ZINC000002111362
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