Vitas-M small molecule compound

methyl 5-(4-butoxyphenyl)-2-ethyl-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK706662
SMILES CCCCOc1ccc(cc1)C1C(=C(C)N=C2N1C(=O)C(S2)CC)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 C21H26N2O4S MW 402.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O4S/c1-5-7-12-27-15-10-8-14(9-11-15)18-17(20(25)26-4)13(3)22-21-23(18)19(24)16(6-2)28-21/h8-11,16,18H,5-7,12H2,1-4H3
InChIKey
TWCZGTHHVZZJSL-UHFFFAOYSA-N
Synonyms
836651-43-5
836651435
CCCCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(S3)CC)C)C(=O)OC
InChI=1SC21H26N2O4Sc15712271510814(91115)1817(20(25)264)13(3)222123(18)19(24)16(62)2821h8111618H5712H214H3
METHYL(2R5S)5(4BUTOXYPHENYL)2ETHYL7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
METHYL(2S5R)5(4BUTOXYPHENYL)2ETHYL7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
METHYL(2S5S)5(4BUTOXYPHENYL)2ETHYL7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl5(4butoxyphenyl)2ethyl7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl5(4butoxyphenyl)2ethyl7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
METHYL5(4BUTOXYPHENYL)2ETHYL7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03692325
ZINC000002253975
ZINC000002253978

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Available files

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