Vitas-M small molecule compound
methyl (2Z)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK794297
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)/c(=C/c1ccc(o1)c1ccccc1Cl)/s2
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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 C29H25ClN2O4S MW 533.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN2O4S/c1-16(2)18-9-11-19(12-10-18)26-25(28(34)35-4)17(3)31-29-32(26)27(33)24(37-29)15-20-13-14-23(36-20)21-7-5-6-8-22(21)30/h5-16,26H,1-4H3/b24-15-InChIKey
CQJCSXZIIIXKOR-IWIPYMOSSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4Cl)SC2=N1)C5=CC=C(C=C5)C(C)C)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)c(=Cc1ccc(o1)c1ccccc1Cl)s2
InChI=1SC29H25ClN2O4Sc116(2)1891119(121018)2625(28(34)354)17(3)312932(26)27(33)24(3729)1520131423(3620)21756822(21)30h51626H14H3b2415
methyl(2Z)2((5(2chlorophenyl)furan2yl)methylidene)7methyl3oxo5(4(propan2yl)phenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2Z)2((5(2CHLOROPHENYL)FURAN2YL)METHYLIDENE)7METHYL3OXO5(4PROPAN2YLPHENYL)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD13372476
ZINC000001814954
ZINC000001814956
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