Vitas-M small molecule compound

ethyl 2-{[(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate

Catalog ID
STK526810
SMILES CCOC(=O)c1c(NC(=O)CN2CCn3c4C2CCCc4c2c3ccc(c2)C2CCCCC2)sc(c1C)C

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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 C31H39N3O3S MW 533.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39N3O3S/c1-4-37-31(36)28-19(2)20(3)38-30(28)32-27(35)18-33-15-16-34-25-14-13-22(21-9-6-5-7-10-21)17-24(25)23-11-8-12-26(33)29(23)34/h13-14,17,21,26H,4-12,15-16,18H2,1-3H3,(H,32,35)
InChIKey
CHRWOYKHTHQVLA-UHFFFAOYSA-N
Synonyms
337488-82-1
337488821
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2CCN3C4=C(C=C(C=C4)C5CCCCC5)C6=C3C2CCC6
ETHYL2(((8CYCLOHEXYL123A456HEXAHYDRO3HPYRAZINO(321JK)CARBAZOL3YL)ACETYL)AMINO)45DIMETHYL3THIOPHENECARBOXYLATE
ethyl2(((8cyclohexyl123a456hexahydro3Hpyrazino(321jk)carbazol3yl)acetyl)amino)45dimethylthiophene3carboxylate
ethyl2(2(8cyclohexyl3a456tetrahydro1Hpyrazino(321jk)carbazol3(2H)yl)acetamido)45dimethylthiophene3carboxylate
InChI=1SC31H39N3O3Sc143731(36)2819(2)20(3)3830(28)3227(35)183315163425141322(2196571021)1724(25)231181226(33)29(23)34h1314172126H412151618H213H3(H3235)
MFCD01895448
ZINC000057050639
ZINC000057050643

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Available files

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