Vitas-M small molecule compound

ethyl (2Z)-5-(2-chlorophenyl)-2-[(5-iodofuran-2-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK522555
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)/c(=C/c1ccc(o1)I)/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 C21H16ClIN2O4S MW 554.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClIN2O4S/c1-3-28-20(27)17-11(2)24-21-25(18(17)13-6-4-5-7-14(13)22)19(26)15(30-21)10-12-8-9-16(23)29-12/h4-10,18H,3H2,1-2H3/b15-10-
InChIKey
QHKBRAAYZRJZAX-GDNBJRDFSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)c(=Cc1ccc(o1)I)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)C(=CC4=CC=C(O4)I)S2)C
ethyl(2Z)5(2chlorophenyl)2((5iodofuran2yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(2CHLOROPHENYL)2((5IODOFURAN2YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC21H16ClIN2O4Sc132820(27)1711(2)242125(18(17)13645714(13)22)19(26)15(3021)10128916(23)2912h41018H3H212H3b1510
MFCD01140630
ZINC000002917055
ZINC000002917059

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Available files

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