Vitas-M small molecule compound

ethyl (2Z)-5-amino-8-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate

Catalog ID
STK790967
SMILES CCOC(=O)C1=C(N)n2c(=C(C1c1ccc(cc1)C(C)C)C#N)s/c(=C\c1ccc(cc1)C(C)C)/c2=O

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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 C30H31N3O3S MW 513.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O3S/c1-6-36-30(35)26-25(22-13-11-21(12-14-22)18(4)5)23(16-31)29-33(27(26)32)28(34)24(37-29)15-19-7-9-20(10-8-19)17(2)3/h7-15,17-18,25H,6,32H2,1-5H3/b24-15-
InChIKey
KKSXXLJNABKWNS-IWIPYMOSSA-N
Synonyms
311333-47-8
(Z)ethyl5amino8cyano2(4isopropylbenzylidene)7(4isopropylphenyl)3oxo37dihydro2Hthiazolo(32a)pyridine6carboxylate
311333478
CCOC(=O)C1=C(N)n2c(=C(C1c1ccc(cc1)C(C)C)C#N)sc(=Cc1ccc(cc1)C(C)C)c2=O
CCOC(=O)C1=C(N2C(=C(C1C3=CC=C(C=C3)C(C)C)C#N)SC(=CC4=CC=C(C=C4)C(C)C)C2=O)N
ethyl(2Z)5amino8cyano3oxo2(4(propan2yl)benzylidene)7(4(propan2yl)phenyl)23dihydro7H(13)thiazolo(32a)pyridine6carboxylate
ETHYL(2Z)5AMINO8CYANO3OXO7(4PROPAN2YLPHENYL)2((4PROPAN2YLPHENYL)METHYLIDENE)7H(13)THIAZOLO(32A)PYRIDINE6CARBOXYLATE
InChI=1SC30H31N3O3Sc163630(35)2625(22131121(121422)18(4)5)23(1631)2933(27(26)32)28(34)24(3729)15197920(10819)17(2)3h715171825H632H215H3b2415
MFCD00825121
ZINC000002273225
ZINC000002273227

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.