Vitas-M small molecule compound

5-{4-[(2-chloro-6-fluorobenzyl)oxy]-3-ethoxybenzylidene}-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK393916
SMILES CCOc1cc(ccc1OCc1c(F)cccc1Cl)/C=C/1\C(=O)N(c2ccccc2)C(=S)N(C1=O)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 C32H24ClFN2O4S MW 587.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H24ClFN2O4S/c1-2-39-29-19-21(16-17-28(29)40-20-25-26(33)14-9-15-27(25)34)18-24-30(37)35(22-10-5-3-6-11-22)32(41)36(31(24)38)23-12-7-4-8-13-23/h3-19H,2,20H2,1H3
InChIKey
BKNIILOVOORMPR-UHFFFAOYSA-N
Synonyms

5((4((2CHLORO6FLUOROBENZYL)OXY)3ETHOXYPHENYL)METHYLIDENE)13DIPHENYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((4((2CHLORO6FLUOROPHENYL)METHOXY)3ETHOXYPHENYL)METHYLIDENE)13DIPHENYL2SULFANYLIDENE13DIAZINANE46DIONE
5((4((6CHLORO2FLUOROPHENYL)METHOXY)3ETHOXYPHENYL)METHYLENE)13DIPHENYL2THIOXO13DIHYDROPYRIMIDINE46DIONE
5(4((2chloro6fluorobenzyl)oxy)3ethoxybenzylidene)13diphenyl2thioxodihydropyrimidine46(1H5H)dione
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OCC5=C(C=CC=C5Cl)F
CCOc1cc(ccc1OCc1c(F)cccc1Cl)C=C1C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1
InChI=1SC32H24ClFN2O4Sc1239291921(161728(29)40202526(33)1491527(25)34)182430(37)35(22105361122)32(41)36(31(24)38)23127481323h319H220H21H3
MFCD03648905
ZINC000101093370
ZINC101093370

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Available files

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