Vitas-M small molecule compound
propan-2-yl (2Z)-2-(2-chloro-6-fluorobenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK797845
SMILES CC(OC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1c(F)cccc1Cl)/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 C22H18ClFN2O3S2 MW 476.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClFN2O3S2/c1-11(2)29-21(28)18-12(3)25-22-26(19(18)16-8-5-9-30-16)20(27)17(31-22)10-13-14(23)6-4-7-15(13)24/h4-11,19H,1-3H3/b17-10-InChIKey
URCMTVTUDJLNQA-YVLHZVERSA-NSynonyms
CC(OC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1c(F)cccc1Cl)s2)C
CC1=C(C(N2C(=O)C(=CC3=C(C=CC=C3Cl)F)SC2=N1)C4=CC=CS4)C(=O)OC(C)C
InChI=1SC22H18ClFN2O3S2c111(2)2921(28)1812(3)252226(19(18)168593016)20(27)17(3122)101314(23)64715(13)24h41119H13H3b1710
MFCD03213313
PROPAN2YL(2Z)2((2CHLORO6FLUOROPHENYL)METHYLIDENE)7METHYL3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
propan2yl(2Z)2(2chloro6fluorobenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000002704254
ZINC000002704258
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