Vitas-M small molecule compound
methyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK809261
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1ccc3c(c1)OCO3)/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 C23H18N2O5S MW 434.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N2O5S/c1-13-19(22(27)28-2)20(15-6-4-3-5-7-15)25-21(26)18(31-23(25)24-13)11-14-8-9-16-17(10-14)30-12-29-16/h3-11,20H,12H2,1-2H3/b18-11-InChIKey
VUBKTYPGNIZHBA-WQRHYEAKSA-NSynonyms
(E)methyl2(benzo(d)(13)dioxol5ylmethylene)7methyl3oxo5phenyl35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=N1)C5=CC=CC=C5)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc3c(c1)OCO3)s2
InChI=1SC23H18N2O5Sc11319(22(27)282)20(156435715)2521(26)18(3123(25)2413)1114891617(1014)30122916h31120H12H212H3b1811
methyl(2Z)2(13benzodioxol5ylmethylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2Z)2(13BENZODIOXOL5YLMETHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
METHYL2(2H13BENZODIOXOL5YLMETHYLIDENE)7METHYL3OXO5PHENYL2H3H5HPYRIMIDO(21B)(13)THIAZOLE6CARBOXYLATE
METHYL2(2HBENZO(34D)13DIOXOLAN5YLMETHYLENE)7METHYL3OXO5PHENYL45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
MFCD01072000
ZINC000000910977
ZINC000000910980
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