Vitas-M small molecule compound
(12bS)-2-cyclopropyl-7-[3-methoxy-4-(propan-2-yloxy)phenyl]-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529369
SMILES COc1cc(ccc1OC(C)C)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)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 C28H31N3O4 MW 473.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O4/c1-16(2)35-22-12-9-17(13-23(22)34-4)20-14-31-24(32)15-30(18-10-11-18)27(33)28(31,3)26-25(20)19-7-5-6-8-21(19)29-26/h5-9,12-13,16,18,20,29H,10-11,14-15H2,1-4H3/t20?,28-/m0/s1InChIKey
CFSWMBRBLQDITE-GPIXMLASSA-NSynonyms
956925-75-0(12bS)2cyclopropyl7(3methoxy4(propan2yloxy)phenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2cyclopropyl7(4isopropoxy3methoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4cyclopropyl9(3methoxy4propan2yloxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402165
956925750
COc1cc(ccc1OC(C)C)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)C1CC1
InChI=1SC28H31N3O4c116(2)352212917(1323(22)344)20143124(32)1530(18101118)27(33)28(313)2625(20)19756821(19)2926h59121316182029H10111415H214H3t20?28m0s1
MFCD06493060
ZINC000012874646
ZINC000012874654
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