Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-4-{4-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Catalog ID
STL426982
SMILES COc1cc(ccc1OCc1ccccc1F)C1NC(=S)NC(=C1C(=O)Nc1ccc(cc1C)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 C28H28FN3O3S MW 505.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28FN3O3S/c1-16-9-11-22(17(2)13-16)31-27(33)25-18(3)30-28(36)32-26(25)19-10-12-23(24(14-19)34-4)35-15-20-7-5-6-8-21(20)29/h5-14,26H,15H2,1-4H3,(H,31,33)(H2,30,32,36)InChIKey
MWGQDKNXIUZMNC-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC(=C(C=C3)OCC4=CC=CC=C4F)OC)C)C
InChI=1SC28H28FN3O3Sc11691122(17(2)1316)3127(33)2518(3)3028(36)3226(25)19101223(24(1419)344)351520756821(20)29h51426H15H214H3(H3133)(H2303236)
MFCD06001024
N(24dimethylphenyl)4(4((2fluorobenzyl)oxy)3methoxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxamide
N(24DIMETHYLPHENYL)4(4((2FLUOROPHENYL)METHOXY)3METHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXAMIDE
ZINC000001075961
ZINC000001075966
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