Vitas-M small molecule compound
4-[({(Z)-[1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}carbamoyl)amino]phenyl thiocyanate
Catalog ID
STL295775
SMILES N#CSc1ccc(cc1)NC(=O)N/C=C\1/C(=O)NC(=O)N(C1=O)c1cccc(c1C)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 C21H17N5O4S MW 435.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O4S/c1-12-4-3-5-17(13(12)2)26-19(28)16(18(27)25-21(26)30)10-23-20(29)24-14-6-8-15(9-7-14)31-11-22/h3-10H,1-2H3,(H2,23,24,29)(H,25,27,30)/b16-10-InChIKey
UTKSPVNFOLJRJM-YBEGLDIGSA-NSynonyms
(4(((Z)(1(23DIMETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)CARBAMOYLAMINO)PHENYL)THIOCYANATE
4((((Z)(1(23dimethylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)carbamoyl)amino)phenylthiocyanate
CC1=C(C(=CC=C1)N2C(=O)C(=CNC(=O)NC3=CC=C(C=C3)SC#N)C(=O)NC2=O)C
InChI=1SC21H17N5O4Sc11243517(13(12)2)2619(28)16(18(27)2521(26)30)102320(29)24146815(9714)311122h310H12H3(H2232429)(H252730)b1610
MFCD03549875
N#CSc1ccc(cc1)NC(=O)NC=C1C(=O)NC(=O)N(C1=O)c1cccc(c1C)C
N((1(23DIMETHYLPHENYL)246TRIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)((4CYANOTHIOPHENYL)AMINO)CARBOXAMIDE
ZINC000016349981
ZINC16349981
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