Vitas-M small molecule compound
4-({(Z)-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)phenyl thiocyanate
Catalog ID
STL359397
SMILES N#CSc1ccc(cc1)N/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)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 C19H14N4O3S MW 378.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N4O3S/c1-12-2-6-14(7-3-12)23-18(25)16(17(24)22-19(23)26)10-21-13-4-8-15(9-5-13)27-11-20/h2-10,21H,1H3,(H,22,24,26)/b16-10-InChIKey
SUOZNQNGEROZFO-YBEGLDIGSA-NSynonyms
(4(((Z)(1(4methylphenyl)246trioxo13diazinan5ylidene)methyl)amino)phenyl)thiocyanate
4(((Z)(1(4methylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)phenylthiocyanate
CC1=CC=C(C=C1)N2C(=O)C(=CNC3=CC=C(C=C3)SC#N)C(=O)NC2=O
InChI=1SC19H14N4O3Sc1122614(7312)2318(25)16(17(24)2219(23)26)1021134815(9513)271120h21021H1H3(H222426)b1610
MFCD28033678
N#CSc1ccc(cc1)NC=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C
ZINC000095471509
ZINC95471509
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