Vitas-M small molecule compound
1-(4-methylbenzyl)-3-(4-methyl-3-nitrophenyl)thiourea
Catalog ID
STK456071
SMILES S=C(Nc1ccc(c(c1)[N+](=O)[O-])C)NCc1ccc(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 C16H17N3O2S MW 315.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O2S/c1-11-3-6-13(7-4-11)10-17-16(22)18-14-8-5-12(2)15(9-14)19(20)21/h3-9H,10H2,1-2H3,(H2,17,18,22)InChIKey
KCQPVJUGQGNIHG-UHFFFAOYSA-NSynonyms
((4METHYL3NITROPHENYL)AMINO)(((4METHYLPHENYL)METHYL)AMINO)METHANE1THIONE
1(4METHYL3NITROPHENYL)3((4METHYLPHENYL)METHYL)THIOUREA
1(4methylbenzyl)3(4methyl3nitrophenyl)thiourea
CC1=CC=C(C=C1)CNC(=S)NC2=CC(=C(C=C2)C)(N+)(=O)(O)
InChI=1SC16H17N3O2Sc1113613(7411)101716(22)18148512(2)15(914)19(20)21h39H10H212H3(H2171822)
MFCD05121343
N(4METHYLBENZYL)N(4METHYL3NITROPHENYL)THIOUREA
S=C(Nc1ccc(c(c1)(N+)(=O)(O))C)NCc1ccc(cc1)C
ZINC000008682698
ZINC08682698
ZINC8682698
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