Vitas-M small molecule compound
methyl (2E)-2-[4-(acetyloxy)benzylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK840927
SMILES COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1ccc(cc1)OC(=O)C)/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 C22H18N2O5S2 MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O5S2/c1-12-18(21(27)28-3)19(16-5-4-10-30-16)24-20(26)17(31-22(24)23-12)11-14-6-8-15(9-7-14)29-13(2)25/h4-11,19H,1-3H3/b17-11+InChIKey
UIFDIWGOEHSQCX-GZTJUZNOSA-NSynonyms
324071-49-0(E)methyl2(4acetoxybenzylidene)7methyl3oxo5(thiophen2yl)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
324071490
4((6(METHOXYCARBONYL)7METHYL3OXO5(2THIENYL)45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDIN2YLIDENE)METHYL)PHENYLACETATE
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C)SC2=N1)C4=CC=CS4)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccc(cc1)OC(=O)C)s2
InChI=1SC22H18N2O5S2c11218(21(27)283)19(1654103016)2420(26)17(3122(24)2312)11146815(9714)2913(2)25h41119H13H3b1711+
methyl(2E)2((4acetyloxyphenyl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)2(4(acetyloxy)benzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD02667280
ZINC000006237805
ZINC000009301618
Check stock
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Check stock on Vitas-MAvailable files
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