Vitas-M small molecule compound
1-[1-(4-bromobenzyl)-1H-pyrazol-3-yl]-3-(3-chloro-4-methylphenyl)thiourea
Catalog ID
STK487091
SMILES S=C(Nc1ccn(n1)Cc1ccc(cc1)Br)Nc1ccc(c(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 C18H16BrClN4S MW 435.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrClN4S/c1-12-2-7-15(10-16(12)20)21-18(25)22-17-8-9-24(23-17)11-13-3-5-14(19)6-4-13/h2-10H,11H2,1H3,(H2,21,22,23,25)InChIKey
CPGNHTNYXNXZKF-UHFFFAOYSA-NSynonyms
((1((4BROMOPHENYL)METHYL)PYRAZOL3YL)AMINO)((3CHLORO4METHYLPHENYL)AMINO)METHANE1THIONE
1(1((4bromophenyl)methyl)pyrazol3yl)3(3chloro4methylphenyl)thiourea
1(1(4bromobenzyl)1Hpyrazol3yl)3(3chloro4methylphenyl)thiourea
CC1=C(C=C(C=C1)NC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Br)Cl
InChI=1SC18H16BrClN4Sc1122715(1016(12)20)2118(25)22178924(2317)11133514(19)6413h210H11H21H3(H221222325)
MFCD05056751
ZINC000013330814
ZINC13330814
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