Vitas-M small molecule compound
ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-{[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Catalog ID
STK747500
SMILES CCOC(=O)C1=C(CSc2nc3CCCCCCc3cc2C#N)OC(=C(C1c1ccccc1Cl)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 C28H27ClN4O3S MW 535.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN4O3S/c1-2-35-28(34)25-23(36-26(32)20(15-31)24(25)19-10-7-8-11-21(19)29)16-37-27-18(14-30)13-17-9-5-3-4-6-12-22(17)33-27/h7-8,10-11,13,24H,2-6,9,12,16,32H2,1H3InChIKey
ZBAIQRMTFSZNBN-UHFFFAOYSA-NSynonyms
316358-94-8316358948
CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2Cl)C#N)N)CSC3=NC4=C(CCCCCC4)C=C3C#N
ethyl6amino4(2chlorophenyl)5cyano2(((3cyano5678910hexahydrocycloocta(b)pyridin2yl)sulfanyl)methyl)4Hpyran3carboxylate
ethyl6amino4(2chlorophenyl)5cyano2(((3cyano5678910hexahydrocycloocta(b)pyridin2yl)thio)methyl)4Hpyran3carboxylate
ethyl6amino4(2chlorophenyl)5cyano2((3cyano5678910hexahydrocycloocta(b)pyridin2yl)sulfanylmethyl)4Hpyran3carboxylate
InChI=1SC28H27ClN4O3Sc123528(34)2523(3626(32)20(1531)24(25)1910781121(19)29)16372718(1430)1317953461222(17)3327h7810111324H269121632H21H3
MFCD00742401
ZINC000012859239
ZINC000012859248
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