Vitas-M small molecule compound
methyl (2Z)-7-methyl-3-oxo-2-{[5-(piperidin-1-yl)furan-2-yl]methylidene}-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL406430
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)/c(=C/c1ccc(o1)N1CCCCC1)/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 C28H31N3O4S MW 505.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O4S/c1-17(2)19-8-10-20(11-9-19)25-24(27(33)34-4)18(3)29-28-31(25)26(32)22(36-28)16-21-12-13-23(35-21)30-14-6-5-7-15-30/h8-13,16-17,25H,5-7,14-15H2,1-4H3/b22-16-InChIKey
YVPHBYWWLPWIHN-JWGURIENSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)N4CCCCC4)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)N1CCCCC1)s2
InChI=1SC28H31N3O4Sc117(2)1981020(11919)2524(27(33)344)18(3)292831(25)26(32)22(3628)1621121323(3521)30146571530h813161725H571415H214H3b2216
methyl(2Z)7methyl3oxo2((5(piperidin1yl)furan2yl)methylidene)5(4(propan2yl)phenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2Z)7METHYL3OXO2((5PIPERIDIN1YLFURAN2YL)METHYLIDENE)5(4PROPAN2YLPHENYL)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD02044645
ZINC000006237744
ZINC000006461695
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