Vitas-M small molecule compound

N-(2,4-dimethylphenyl)-6-methyl-4-(3-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

Catalog ID
STK842262
SMILES S=C1NC(=C(C(N1)c1cccc(c1)[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/c1-11-7-8-16(12(2)9-11)22-19(25)17-13(3)21-20(28)23-18(17)14-5-4-6-15(10-14)24(26)27/h4-10,18H,1-3H3,(H,22,25)(H2,21,23,28)
InChIKey
GKBDDZYGGNZNBI-UHFFFAOYSA-N
Synonyms
431893-65-1
431893651
CC1=CC(=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC(=CC=C3)(N+)(=O)(O))C)C
InChI=1SC20H20N4O3Sc1117816(12(2)911)2219(25)1713(3)2120(28)2318(17)1454615(1014)24(26)27h41018H13H3(H2225)(H2212328)
MFCD02844737
N(24DIMETHYLPHENYL)6METHYL4(3NITROPHENYL)2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXAMIDE
N(24dimethylphenyl)6methyl4(3nitrophenyl)2thioxo1234tetrahydropyrimidine5carboxamide
S=C1NC(=C(C(N1)c1cccc(c1)(N+)(=O)(O))C(=O)Nc1ccc(cc1C)C)C
ZINC000001138765
ZINC000001138767

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Available files

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