Vitas-M small molecule compound

6-butyl 8-methyl (2Z)-5-amino-2-(3-methoxybenzylidene)-7-(3-methoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

Catalog ID
STK729748
SMILES CCCCOC(=O)C1=C(N)n2c(=C(C1c1cccc(c1)OC)C(=O)OC)s/c(=C\c1cccc(c1)OC)/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 C29H30N2O7S MW 550.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O7S/c1-5-6-13-38-29(34)23-22(18-10-8-12-20(16-18)36-3)24(28(33)37-4)27-31(25(23)30)26(32)21(39-27)15-17-9-7-11-19(14-17)35-2/h7-12,14-16,22H,5-6,13,30H2,1-4H3/b21-15-
InChIKey
PFIYRZGCPDJZHP-QNGOZBTKSA-N
Synonyms

(Z)6butyl8methyl5amino2(3methoxybenzylidene)7(3methoxyphenyl)3oxo37dihydro2Hthiazolo(32a)pyridine68dicarboxylate
6butyl8methyl(2Z)5amino2(3methoxybenzylidene)7(3methoxyphenyl)3oxo23dihydro7H(13)thiazolo(32a)pyridine68dicarboxylate
6OBUTYL8OMETHYL(2Z)5AMINO7(3METHOXYPHENYL)2((3METHOXYPHENYL)METHYLIDENE)3OXO7H(13)THIAZOLO(32A)PYRIDINE68DICARBOXYLATE
CCCCOC(=O)C1=C(N)n2c(=C(C1c1cccc(c1)OC)C(=O)OC)sc(=Cc1cccc(c1)OC)c2=O
CCCCOC(=O)C1=C(N2C(=C(C1C3=CC(=CC=C3)OC)C(=O)OC)SC(=CC4=CC(=CC=C4)OC)C2=O)N
InChI=1SC29H30N2O7Sc156133829(34)2322(181081220(1618)363)24(28(33)374)2731(25(23)30)26(32)21(3927)1517971119(1417)352h712141622H561330H214H3b2115
MFCD03682343
ZINC000001890444
ZINC000001890448

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Available files

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