Vitas-M small molecule compound

propyl 2-chloro-5-({(Z)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)benzoate

Catalog ID
STK963072
SMILES CCCOC(=O)c1cc(N/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)ccc1Cl

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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 C21H17Cl2N3O5 MW 462.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Cl2N3O5/c1-2-9-31-20(29)15-10-13(5-8-17(15)23)24-11-16-18(27)25-21(30)26(19(16)28)14-6-3-12(22)4-7-14/h3-8,10-11,24H,2,9H2,1H3,(H,25,27,30)/b16-11-
InChIKey
DMYUXZXNCLFYAS-WJDWOHSUSA-N
Synonyms

CCCOC(=O)C1=C(C=CC(=C1)NC=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)Cl
CCCOC(=O)c1cc(NC=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)ccc1Cl
InChI=1SC21H17Cl2N3O5c1293120(29)151013(5817(15)23)24111618(27)2521(30)26(19(16)28)146312(22)4714h38101124H29H21H3(H252730)b1611
MFCD01178412
propyl2chloro5(((Z)(1(4chlorophenyl)246trioxo13diazinan5ylidene)methyl)amino)benzoate
propyl2chloro5(((Z)(1(4chlorophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)benzoate
ZINC000027489181
ZINC27489181

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Available files

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