Vitas-M small molecule compound
propan-2-yl (2E)-5-amino-6-cyano-2-[4-(methoxycarbonyl)benzylidene]-7-[4-(methoxycarbonyl)phenyl]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Catalog ID
STK729710
SMILES COC(=O)c1ccc(cc1)/C=c\1/sc2=C(C(=O)OC(C)C)C(C(=C(n2c1=O)N)C#N)c1ccc(cc1)C(=O)OC
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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 C29H25N3O7S MW 559.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O7S/c1-15(2)39-29(36)23-22(17-9-11-19(12-10-17)28(35)38-4)20(14-30)24(31)32-25(33)21(40-26(23)32)13-16-5-7-18(8-6-16)27(34)37-3/h5-13,15,22H,31H2,1-4H3/b21-13+InChIKey
XUEWSHYJHZGAKK-FYJGNVAPSA-NSynonyms
(E)isopropyl5amino6cyano2(4(methoxycarbonyl)benzylidene)7(4(methoxycarbonyl)phenyl)3oxo37dihydro2Hthiazolo(32a)pyridine8carboxylate
CC(C)OC(=O)C1=C2N(C(=C(C1C3=CC=C(C=C3)C(=O)OC)C#N)N)C(=O)C(=CC4=CC=C(C=C4)C(=O)OC)S2
COC(=O)c1ccc(cc1)C=c1sc2=C(C(=O)OC(C)C)C(C(=C(n2c1=O)N)C#N)c1ccc(cc1)C(=O)OC
InChI=1SC29H25N3O7Sc115(2)3929(36)2322(1791119(121017)28(35)384)20(1430)24(31)3225(33)21(4026(23)32)13165718(8616)27(34)373h5131522H31H214H3b2113+
MFCD03248399
propan2yl(2E)5amino6cyano2(4(methoxycarbonyl)benzylidene)7(4(methoxycarbonyl)phenyl)3oxo23dihydro7H(13)thiazolo(32a)pyridine8carboxylate
propan2yl(2E)5amino6cyano7(4methoxycarbonylphenyl)2((4methoxycarbonylphenyl)methylidene)3oxo7H(13)thiazolo(32a)pyridine8carboxylate
ZINC000097968570
ZINC000097968571
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.