Vitas-M small molecule compound
2-[2-amino-3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carbonitrile
Catalog ID
STK686803
SMILES N#CC1=C(N)N(C2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CCC2)c1sc2c(c1C#N)C1CCN2CC1
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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 C29H29N5O4S MW 543.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O4S/c1-36-21-11-16(12-22(37-2)26(21)38-3)23-17(13-30)27(32)34(19-5-4-6-20(35)25(19)23)28-18(14-31)24-15-7-9-33(10-8-15)29(24)39-28/h11-12,15,23H,4-10,32H2,1-3H3InChIKey
CWSUYGIGFUNCIZ-UHFFFAOYSA-NSynonyms
2(2amino3cyano5oxo4(345trimethoxyphenyl)5678tetrahydroquinolin1(4H)yl)56dihydro4H47ethanothieno(23b)pyridine3carbonitrile
COC1=CC(=CC(=C1OC)OC)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)N6CCC5CC6)C#N)N)C#N
InChI=1SC29H29N5O4Sc136211116(1222(372)26(21)383)2317(1330)27(32)34(1954620(35)25(19)23)2818(1431)24157933(10815)29(24)3928h11121523H41032H213H3
MFCD06017711
ZINC000100201432
ZINC000100201439
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