Vitas-M small molecule compound
benzyl (2Z)-7-methyl-3-oxo-2-[(2Z)-3-phenylprop-2-en-1-ylidene]-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK813423
SMILES O=C(C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/C=C\c1ccccc1)/s2)OCc1ccccc1
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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 C28H22N2O3S2 MW 498.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O3S2/c1-19-24(27(32)33-18-21-12-6-3-7-13-21)25(22-16-9-17-34-22)30-26(31)23(35-28(30)29-19)15-8-14-20-10-4-2-5-11-20/h2-17,25H,18H2,1H3/b14-8-,23-15-InChIKey
IPFNDEOBPQUCKS-JNPNZWEESA-NSynonyms
benzyl(2Z)7methyl3oxo2((2Z)3phenylprop2en1ylidene)5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
benzyl(2Z)7methyl3oxo2((Z)3phenylprop2enylidene)5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
BENZYL7METHYL3OXO2(3PHENYLALLYLIDENE)5(THIOPHEN2YL)35DIHYDRO2HTHIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
CC1=C(C(N2C(=O)C(=CC=CC3=CC=CC=C3)SC2=N1)C4=CC=CS4)C(=O)OCC5=CC=CC=C5
InChI=1SC28H22N2O3S2c11924(27(32)331821126371321)25(22169173422)3026(31)23(3528(30)2919)1581420104251120h21725H18H21H3b1482315
MFCD04441554
O=C(C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=CC=Cc1ccccc1)s2)OCc1ccccc1
ZINC000016730152
ZINC000016730155
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