Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-6-methyl-4-(4-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Catalog ID
STK867956
SMILES S=C1NC(=C(C(N1)c1ccc(cc1)[N+](=O)[O-])C(=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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c1-11-4-9-16(12(2)10-11)22-19(25)17-13(3)21-20(28)23-18(17)14-5-7-15(8-6-14)24(26)27/h4-10,18H,1-3H3,(H,22,25)(H2,21,23,28)InChIKey
HLDLBYCSKBKEGE-UHFFFAOYSA-NSynonyms
431918-89-7431918897
CC1=CC(=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC=C(C=C3)(N+)(=O)(O))C)C
InChI=1SC20H20N4O3Sc1114916(12(2)1011)2219(25)1713(3)2120(28)2318(17)145715(8614)24(26)27h41018H13H3(H2225)(H2212328)
MFCD02844743
N(24DIMETHYLPHENYL)6METHYL4(4NITROPHENYL)2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXAMIDE
N(24dimethylphenyl)6methyl4(4nitrophenyl)2thioxo1234tetrahydropyrimidine5carboxamide
S=C1NC(=C(C(N1)c1ccc(cc1)(N+)(=O)(O))C(=O)Nc1ccc(cc1C)C)C
ZINC000001165555
ZINC000001165556
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