Vitas-M small molecule compound
propan-2-yl (2Z)-5-(4-chlorophenyl)-7-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL506973
SMILES CC(OC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C/c1cc3OCOc3cc1C)/s2)C
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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 C26H23ClN2O5S MW 511.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN2O5S/c1-13(2)34-25(31)22-15(4)28-26-29(23(22)16-5-7-18(27)8-6-16)24(30)21(35-26)11-17-10-20-19(9-14(17)3)32-12-33-20/h5-11,13,23H,12H2,1-4H3/b21-11-InChIKey
IDALYJZHYIFWMH-NHDPSOOVSA-NSynonyms
132452219
InChI=1SC26H23ClN2O5Sc113(2)3425(31)2215(4)282629(23(22)165718(27)8616)24(30)21(3526)1117102019(914(17)3)32123320h5111323H12H214H3b2111
MFCD31614611
propan2yl(2~(Z))5(4chlorophenyl)7methyl2((6methyl13benzodioxol5yl)methylidene)3oxo5~(H)(13)thiazolo(32a)pyrimidine6carboxylate
propan2yl(2Z)5(4chlorophenyl)7methyl2((6methyl13benzodioxol5yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000409333636
ZINC000409333639
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