Vitas-M small molecule compound

(12bS)-2-[3-(1H-imidazol-1-yl)propyl]-7-(3-methoxy-4-propoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL532213
SMILES CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCCn1cncc1

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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 C31H35N5O4 MW 541.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N5O4/c1-4-16-40-25-11-10-21(17-26(25)39-3)23-18-36-27(37)19-35(14-7-13-34-15-12-32-20-34)30(38)31(36,2)29-28(23)22-8-5-6-9-24(22)33-29/h5-6,8-12,15,17,20,23,33H,4,7,13-14,16,18-19H2,1-3H3/t23?,31-/m0/s1
InChIKey
ZVFNUBCOQFTFTB-HPTWYVLESA-N
Synonyms
956966-28-2
(12bS)2(3(1Himidazol1yl)propyl)7(3methoxy4propoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(3(1Himidazol1yl)propyl)7(3methoxy4propoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4(3imidazol1ylpropyl)9(3methoxy4propoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403051
956966282
CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCCn1cncc1
InChI=1SC31H35N5O4c14164025111021(1726(25)393)23183627(37)1935(14713341512322034)30(38)31(362)2928(23)22856924(22)3329h568121517202333H471314161819H213H3t23?31m0s1
MFCD06494979
ZINC000070697593
ZINC000070697595

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Available files

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