Vitas-M small molecule compound
propan-2-yl 6-methyl-4-(3-phenoxyphenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK812693
SMILES CC(OC(=O)C1=C(C)NC(=S)NC1c1cccc(c1)Oc1ccccc1)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 C21H22N2O3S MW 382.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S/c1-13(2)25-20(24)18-14(3)22-21(27)23-19(18)15-8-7-11-17(12-15)26-16-9-5-4-6-10-16/h4-13,19H,1-3H3,(H2,22,23,27)InChIKey
AEBGYMQCDFOXHA-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OC(C)C
InChI=1SC21H22N2O3Sc113(2)2520(24)1814(3)2221(27)2319(18)15871117(1215)261695461016h41319H13H3(H2222327)
MFCD04445882
PROPAN2YL6METHYL4(3PHENOXYPHENYL)2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
propan2yl6methyl4(3phenoxyphenyl)2thioxo1234tetrahydropyrimidine5carboxylate
ZINC000006050389
ZINC000006050419
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