Vitas-M small molecule compound
ethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL169925
SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1cc2OCOc2cc1Cl
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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 C15H15ClN2O4S MW 354.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15ClN2O4S/c1-3-20-14(19)12-7(2)17-15(23)18-13(12)8-4-10-11(5-9(8)16)22-6-21-10/h4-5,13H,3,6H2,1-2H3,(H2,17,18,23)InChIKey
GKYPGWIYYMMLSM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=S)NC1C2=CC3=C(C=C2Cl)OCO3)C
ETHYL4(6CHLORO13BENZODIOXOL5YL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ethyl4(6chloro13benzodioxol5yl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
InChI=1SC15H15ClN2O4Sc132014(19)127(2)1715(23)1813(12)841011(59(8)16)2262110h4513H36H212H3(H2171823)
MFCD01919488
ZINC000002482015
ZINC000002482017
ZINC02482015
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