Vitas-M small molecule compound
3-methoxy-4-({(Z)-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)phenyl thiocyanate
Catalog ID
STL359300
SMILES N#CSc1ccc(c(c1)OC)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 C20H16N4O4S MW 408.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O4S/c1-12-3-5-13(6-4-12)24-19(26)15(18(25)23-20(24)27)10-22-16-8-7-14(29-11-21)9-17(16)28-2/h3-10,22H,1-2H3,(H,23,25,27)/b15-10-InChIKey
RUZDTWAPWFNQNU-GDNBJRDFSA-NSynonyms
(3methoxy4(((Z)(1(4methylphenyl)246trioxo13diazinan5ylidene)methyl)amino)phenyl)thiocyanate
3methoxy4(((Z)(1(4methylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)phenylthiocyanate
CC1=CC=C(C=C1)N2C(=O)C(=CNC3=C(C=C(C=C3)SC#N)OC)C(=O)NC2=O
InChI=1SC20H16N4O4Sc1123513(6412)2419(26)15(18(25)2320(24)27)1022168714(291121)917(16)282h31022H12H3(H232527)b1510
MFCD28033637
N#CSc1ccc(c(c1)OC)NC=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C
ZINC000095471462
ZINC95471462
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