Vitas-M small molecule compound
4-[({(E)-[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}carbamoyl)amino]-3-methoxyphenyl thiocyanate
Catalog ID
STL295340
SMILES N#CSc1ccc(c(c1)OC)NC(=O)N/C=C/1\C(=NN(C1=O)c1cccc(c1)Cl)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 C20H16ClN5O3S MW 441.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN5O3S/c1-12-16(19(27)26(25-12)14-5-3-4-13(21)8-14)10-23-20(28)24-17-7-6-15(30-11-22)9-18(17)29-2/h3-10H,1-2H3,(H2,23,24,28)/b16-10+InChIKey
WKFPMVNUCCBSBM-MHWRWJLKSA-NSynonyms
(4(((E)(1(3chlorophenyl)3methyl5oxopyrazol4ylidene)methyl)carbamoylamino)3methoxyphenyl)thiocyanate
4((((E)(1(3chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)carbamoyl)amino)3methoxyphenylthiocyanate
CC1=NN(C(=O)C1=CNC(=O)NC2=C(C=C(C=C2)SC#N)OC)C3=CC(=CC=C3)Cl
InChI=1SC20H16ClN5O3Sc11216(19(27)26(2512)1453413(21)814)102320(28)24177615(301122)918(17)292h310H12H3(H2232428)b1610+
MFCD28032945
N#CSc1ccc(c(c1)OC)NC(=O)NC=C1C(=NN(C1=O)c1cccc(c1)Cl)C
ZINC000101148888
ZINC101148888
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