Vitas-M small molecule compound
(12bS)-9-methoxy-12b-methyl-2-(thiophen-2-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL548727
SMILES COc1ccc2c(c1)c1CCN3[C@](c1[nH]2)(C)C(=O)N(CC3=O)Cc1cccs1
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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 C21H21N3O3S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3S/c1-21-19-15(16-10-13(27-2)5-6-17(16)22-19)7-8-24(21)18(25)12-23(20(21)26)11-14-4-3-9-28-14/h3-6,9-10,22H,7-8,11-12H2,1-2H3/t21-/m0/s1InChIKey
IVKRNAVUURUOPD-NRFANRHFSA-NSynonyms
956746-60-4(12bS)9methoxy12bmethyl2(thiophen2ylmethyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(2~(S))13methoxy2methyl4(thiophen2ylmethyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)11(16)1214tetraene36dione
(S)9methoxy12bmethyl2(thiophen2ylmethyl)2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
6576145
956746604
COc1ccc2c(c1)c1CCN3(C@)(c1(nH)2)(C)C(=O)N(CC3=O)Cc1cccs1
InChI=1SC21H21N3O3Sc1211915(161013(272)5617(16)2219)7824(21)18(25)1223(20(21)26)11144392814h3691022H781112H212H3t21m0s1
MFCD04142654
ZINC000004061273
ZINC4061273
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