Vitas-M small molecule compound
ethyl 6-amino-5-cyano-2-{[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate
Catalog ID
STK747498
SMILES CCOC(=O)C1=C(CSc2nc3CCCCCCc3cc2C#N)OC(=C(C1c1ccccc1)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 C28H28N4O3S MW 500.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O3S/c1-2-34-28(33)25-23(35-26(31)21(16-30)24(25)18-10-7-5-8-11-18)17-36-27-20(15-29)14-19-12-6-3-4-9-13-22(19)32-27/h5,7-8,10-11,14,24H,2-4,6,9,12-13,17,31H2,1H3InChIKey
HLAKJVSGXQXCBG-UHFFFAOYSA-NSynonyms
339163-47-2339163472
CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2)C#N)N)CSC3=NC4=C(CCCCCC4)C=C3C#N
ethyl6amino5cyano2(((3cyano5678910hexahydrocycloocta(b)pyridin2yl)sulfanyl)methyl)4phenyl4Hpyran3carboxylate
ethyl6amino5cyano2(((3cyano5678910hexahydrocycloocta(b)pyridin2yl)thio)methyl)4phenyl4Hpyran3carboxylate
ethyl6amino5cyano2((3cyano5678910hexahydrocycloocta(b)pyridin2yl)sulfanylmethyl)4phenyl4Hpyran3carboxylate
InChI=1SC28H28N4O3Sc123428(33)2523(3526(31)21(1630)24(25)18107581118)17362720(1529)14191263491322(19)3227h57810111424H246912131731H21H3
MFCD00742400
ZINC000008443093
ZINC000008443094
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