Vitas-M small molecule compound

ethyl 6-amino-4-(4-tert-butylphenyl)-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate

Catalog ID
STL334822
SMILES CCOC(=O)C1=C(CSc2nc3CCCCCc3cc2C#N)OC(=C(C1c1ccc(cc1)C(C)(C)C)C#N)N

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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 C31H34N4O3S MW 542.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N4O3S/c1-5-37-30(36)27-25(18-39-29-21(16-32)15-20-9-7-6-8-10-24(20)35-29)38-28(34)23(17-33)26(27)19-11-13-22(14-12-19)31(2,3)4/h11-15,26H,5-10,18,34H2,1-4H3
InChIKey
RBXGEUKQUYCNCN-UHFFFAOYSA-N
Synonyms
445384-33-8
445384338
CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)C(C)(C)C)C#N)N)CSC3=NC4=C(CCCCC4)C=C3C#N
ethyl6amino4(4(tertbutyl)phenyl)5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)thio)methyl)4Hpyran3carboxylate
ethyl6amino4(4tertbutylphenyl)5cyano2(((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanyl)methyl)4Hpyran3carboxylate
ethyl6amino4(4tertbutylphenyl)5cyano2((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanylmethyl)4Hpyran3carboxylate
InChI=1SC31H34N4O3Sc153730(36)2725(18392921(1632)152097681024(20)3529)3828(34)23(1733)26(27)19111322(141219)31(23)4h111526H5101834H214H3
MFCD03270475
ZINC000008451199
ZINC000008451200

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Available files

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