Vitas-M small molecule compound
N-(3,4-difluorophenyl)-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Catalog ID
STK616531
SMILES COc1cc(cc(c1OC)OC)C1NC(=S)NC(=C1C(=O)Nc1ccc(c(c1)F)F)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 C21H21F2N3O4S MW 449.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F2N3O4S/c1-10-17(20(27)25-12-5-6-13(22)14(23)9-12)18(26-21(31)24-10)11-7-15(28-2)19(30-4)16(8-11)29-3/h5-9,18H,1-4H3,(H,25,27)(H2,24,26,31)InChIKey
DXUWDXPQVHNKFO-UHFFFAOYSA-NSynonyms
497231-62-6497231626
CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)NC3=CC(=C(C=C3)F)F
InChI=1SC21H21F2N3O4Sc11017(20(27)25125613(22)14(23)912)18(2621(31)2410)11715(282)19(304)16(811)293h5918H14H3(H2527)(H2242631)
MFCD02844699
N(34DIFLUOROPHENYL)6METHYL2SULFANYLIDENE4(345TRIMETHOXYPHENYL)34DIHYDRO1HPYRIMIDINE5CARBOXAMIDE
N(34difluorophenyl)6methyl2thioxo4(345trimethoxyphenyl)1234tetrahydropyrimidine5carboxamide
ZINC000009380208
ZINC000009380209
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