Vitas-M small molecule compound

(12bS)-2-(4-fluorobenzyl)-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
STL532037
SMILES COc1cc(ccc1OC(C)C)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)Cc1ccc(cc1)F

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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 C32H32FN3O4 MW 541.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32FN3O4/c1-19(2)40-26-14-11-21(15-27(26)39-4)24-17-36-28(37)18-35(16-20-9-12-22(33)13-10-20)31(38)32(36,3)30-29(24)23-7-5-6-8-25(23)34-30/h5-15,19,24,34H,16-18H2,1-4H3/t24?,32-/m0/s1
InChIKey
SDSVYGGIKHQARL-TWAVRPEISA-N
Synonyms
956815-91-1
(12bS)2(4fluorobenzyl)7(3methoxy4(propan2yloxy)phenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(4fluorobenzyl)7(4isopropoxy3methoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4((4fluorophenyl)methyl)9(3methoxy4propan2yloxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402459
956815911
COc1cc(ccc1OC(C)C)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)Cc1ccc(cc1)F
InChI=1SC32H32FN3O4c119(2)4026141121(1527(26)394)24173628(37)1835(162091222(33)131020)31(38)32(363)3029(24)23756825(23)3430h515192434H1618H214H3t24?32m0s1
MFCD06493697
ZINC000070692264
ZINC000070692265

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Available files

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