Vitas-M small molecule compound
(12bS)-2-(3-chlorobenzyl)-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
STL528689
SMILES COc1cc(ccc1OC(C)C)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)Cc1cccc(c1)Cl
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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 C32H32ClN3O4 MW 558.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32ClN3O4/c1-19(2)40-26-13-12-21(15-27(26)39-4)24-17-36-28(37)18-35(16-20-8-7-9-22(33)14-20)31(38)32(36,3)30-29(24)23-10-5-6-11-25(23)34-30/h5-15,19,24,34H,16-18H2,1-4H3/t24?,32-/m0/s1InChIKey
VBAOGHYPVAVEFQ-TWAVRPEISA-NSynonyms
956976-43-5(12bS)2(3chlorobenzyl)7(3methoxy4(propan2yloxy)phenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(3chlorobenzyl)7(4isopropoxy3methoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4((3chlorophenyl)methyl)9(3methoxy4propan2yloxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403775
956976435
COc1cc(ccc1OC(C)C)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)Cc1cccc(c1)Cl
InChI=1SC32H32ClN3O4c119(2)4026131221(1527(26)394)24173628(37)1835(162087922(33)1420)31(38)32(363)3029(24)2310561125(23)3430h515192434H1618H214H3t24?32m0s1
MFCD06765246
ZINC000070699369
ZINC000070699371
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