Vitas-M small molecule compound

methyl 6-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STL435851
SMILES COC(=O)C1=C(CSc2nc3c(o2)cccc3)NC(=O)NC1c1cc(C)ccc1C

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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 C22H21N3O4S MW 423.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4S/c1-12-8-9-13(2)14(10-12)19-18(20(26)28-3)16(23-21(27)25-19)11-30-22-24-15-6-4-5-7-17(15)29-22/h4-10,19H,11H2,1-3H3,(H2,23,25,27)
InChIKey
MLVBUOJDBOZHRQ-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(C=C1)C)C2C(=C(NC(=O)N2)CSC3=NC4=CC=CC=C4O3)C(=O)OC
InChI=1SC22H21N3O4Sc1128913(2)14(1012)1918(20(26)283)16(2321(27)2519)1130222415645717(15)2922h41019H11H213H3(H2232527)
METHYL4(BENZOXAZOL2YLTHIOMETHYL)6(25DIMETHYLPHENYL)2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
methyl6((13benzoxazol2ylsulfanyl)methyl)4(25dimethylphenyl)2oxo1234tetrahydropyrimidine5carboxylate
METHYL6(13BENZOXAZOL2YLSULFANYLMETHYL)4(25DIMETHYLPHENYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
MFCD06629038
ZINC000004195693
ZINC000004195694

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Available files

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