Vitas-M small molecule compound

ethyl (2Z)-5-(4-chlorophenyl)-2-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK794247
SMILES CCOc1ccc(cc1)c1nn(cc1/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccc(cc1)Cl)C(=O)OCC)C)c1ccccc1

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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 C34H29ClN4O4S MW 625.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H29ClN4O4S/c1-4-42-27-17-13-22(14-18-27)30-24(20-38(37-30)26-9-7-6-8-10-26)19-28-32(40)39-31(23-11-15-25(35)16-12-23)29(33(41)43-5-2)21(3)36-34(39)44-28/h6-20,31H,4-5H2,1-3H3/b28-19-
InChIKey
TVEORWJOJQBFCI-USHMODERSA-N
Synonyms

(Z)ethyl5(4chlorophenyl)2((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)C5=CC=C(C=C5)Cl)C6=CC=CC=C6
CCOc1ccc(cc1)c1nn(cc1C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)Cl)C(=O)OCC)C)c1ccccc1
ethyl(2Z)5(4chlorophenyl)2((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(4CHLOROPHENYL)2((3(4ETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC34H29ClN4O4Sc144227171322(141827)3024(2038(3730)2697681026)192832(40)3931(23111525(35)161223)29(33(41)4352)21(3)3634(39)4428h62031H45H213H3b2819
MFCD01948103
ZINC000097947545
ZINC000097947546

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Available files

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