Vitas-M small molecule compound
4-({(Z)-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)-3-nitrophenyl thiocyanate
Catalog ID
STL359503
SMILES N#CSc1ccc(c(c1)[N+](=O)[O-])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 C19H13N5O5S MW 423.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N5O5S/c1-11-2-4-12(5-3-11)23-18(26)14(17(25)22-19(23)27)9-21-15-7-6-13(30-10-20)8-16(15)24(28)29/h2-9,21H,1H3,(H,22,25,27)/b14-9-InChIKey
NWOGDFBBZDMLFS-ZROIWOOFSA-NSynonyms
(4(((Z)(1(4methylphenyl)246trioxo13diazinan5ylidene)methyl)amino)3nitrophenyl)thiocyanate
4(((Z)(1(4methylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)3nitrophenylthiocyanate
CC1=CC=C(C=C1)N2C(=O)C(=CNC3=C(C=C(C=C3)SC#N)(N+)(=O)(O))C(=O)NC2=O
InChI=1SC19H13N5O5Sc1112412(5311)2318(26)14(17(25)2219(23)27)921157613(301020)816(15)24(28)29h2921H1H3(H222527)b149
MFCD28033729
N#CSc1ccc(c(c1)(N+)(=O)(O))NC=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C
ZINC000095471553
ZINC95471553
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