Vitas-M small molecule compound

(12aS)-6-(2-phenylethyl)-2-(thiophen-2-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL548797
SMILES O=C1CN(Cc2cccs2)C(=O)[C@H]2N1C(CCc1ccccc1)c1c(C2)c2c([nH]1)cccc2

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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 C27H25N3O2S MW 455.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O2S/c31-25-17-29(16-19-9-6-14-33-19)27(32)24-15-21-20-10-4-5-11-22(20)28-26(21)23(30(24)25)13-12-18-7-2-1-3-8-18/h1-11,14,23-24,28H,12-13,15-17H2/t23?,24-/m0/s1
InChIKey
DKYDPEFQDCZSGI-CGAIIQECSA-N
Synonyms
956914-26-4
(12aS)6(2phenylethyl)2(thiophen2ylmethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)6phenethyl2(thiophen2ylmethyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))2(2phenylethyl)6(thiophen2ylmethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401714
956914264
InChI=1SC27H25N3O2Sc31251729(161996143319)27(32)2415212010451122(20)2826(21)23(30(24)25)1312187213818h11114232428H12131517H2t23?24m0s1
MFCD05676145
O=C1CN(Cc2cccs2)C(=O)(C@H)2N1C(CCc1ccccc1)c1c(C2)c2c((nH)1)cccc2
ZINC000002122618
ZINC000002122620

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Available files

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