Vitas-M small molecule compound

propan-2-yl 4-(3,4-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK863087
SMILES COc1cc(ccc1OC)C1NC(=S)NC(=C1C(=O)OC(C)C)C

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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 C17H22N2O4S MW 350.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O4S/c1-9(2)23-16(20)14-10(3)18-17(24)19-15(14)11-6-7-12(21-4)13(8-11)22-5/h6-9,15H,1-5H3,(H2,18,19,24)
InChIKey
RHBFUVQEKXSBRA-UHFFFAOYSA-N
Synonyms

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OC)OC)C(=O)OC(C)C
InChI=1SC17H22N2O4Sc19(2)2316(20)1410(3)1817(24)1915(14)116712(214)13(811)225h6915H15H3(H2181924)
MFCD00548125
PROPAN2YL4(34DIMETHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
propan2yl4(34dimethoxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
ZINC000001232275
ZINC000001232276

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.