Vitas-M small molecule compound
(12bS)-7-(4-methoxyphenyl)-12b-methyl-2-(3-phenylpropyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL533003
SMILES COc1ccc(cc1)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCCc1ccccc1
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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 C31H31N3O3 MW 493.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O3/c1-31-29-28(24-12-6-7-13-26(24)32-29)25(22-14-16-23(37-2)17-15-22)19-34(31)27(35)20-33(30(31)36)18-8-11-21-9-4-3-5-10-21/h3-7,9-10,12-17,25,32H,8,11,18-20H2,1-2H3/t25?,31-/m0/s1InChIKey
COZOGIOGAGVPJN-KHTLXAHUSA-NSynonyms
957020-98-3(12bS)7(4methoxyphenyl)12bmethyl2(3phenylpropyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(4methoxyphenyl)12bmethyl2(3phenylpropyl)2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(4methoxyphenyl)2methyl4(3phenylpropyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403164
957020983
COc1ccc(cc1)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCCc1ccccc1
InChI=1SC31H31N3O3c1312928(2412671326(24)3229)25(22141623(372)171522)1934(31)27(35)2033(30(31)36)188112194351021h3791012172532H8111820H212H3t25?31m0s1
MFCD06495212
ZINC000008789516
ZINC000008789517
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