Vitas-M small molecule compound
methyl (2Z)-2-(2,6-dichlorobenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK797774
SMILES COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1c(Cl)cccc1Cl)/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 C20H14Cl2N2O3S2 MW 465.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14Cl2N2O3S2/c1-10-16(19(26)27-2)17(14-7-4-8-28-14)24-18(25)15(29-20(24)23-10)9-11-12(21)5-3-6-13(11)22/h3-9,17H,1-2H3/b15-9-InChIKey
YPDMKEUGXXGBBD-DHDCSXOGSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=C(C=CC=C3Cl)Cl)SC2=N1)C4=CC=CS4)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1c(Cl)cccc1Cl)s2
InChI=1SC20H14Cl2N2O3S2c11016(19(26)272)17(147482814)2418(25)15(2920(24)2310)91112(21)53613(11)22h3917H12H3b159
METHYL(2Z)2((26DICHLOROPHENYL)METHYLIDENE)7METHYL3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2Z)2(26dichlorobenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03213384
ZINC000016699881
ZINC000016699883
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