Vitas-M small molecule compound
2-chloro-4-({(Z)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)phenyl thiocyanate
Catalog ID
STL359589
SMILES N#CSc1ccc(cc1Cl)N/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
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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 C18H10Cl2N4O3S MW 433.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H10Cl2N4O3S/c19-10-1-4-12(5-2-10)24-17(26)13(16(25)23-18(24)27)8-22-11-3-6-15(28-9-21)14(20)7-11/h1-8,22H,(H,23,25,27)/b13-8-InChIKey
IADRQCYQIUVSOE-JYRVWZFOSA-NSynonyms
(2chloro4(((Z)(1(4chlorophenyl)246trioxo13diazinan5ylidene)methyl)amino)phenyl)thiocyanate
2chloro4(((Z)(1(4chlorophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)phenylthiocyanate
C1=CC(=CC=C1N2C(=O)C(=CNC3=CC(=C(C=C3)SC#N)Cl)C(=O)NC2=O)Cl
InChI=1SC18H10Cl2N4O3Sc19101412(5210)2417(26)13(16(25)2318(24)27)822113615(28921)14(20)711h1822H(H232527)b138
MFCD28033765
N#CSc1ccc(cc1Cl)NC=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
ZINC000095471594
ZINC95471594
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