Vitas-M small molecule compound
1-(2,4-dimethylphenyl)-3-[3-({[(2,4-dimethylphenyl)carbamothioyl]amino}methyl)-3,5,5-trimethylcyclohexyl]thiourea
Catalog ID
STK682735
SMILES S=C(Nc1ccc(cc1C)C)NCC1(C)CC(NC(=S)Nc2ccc(cc2C)C)CC(C1)(C)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 C28H40N4S2 MW 496.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H40N4S2/c1-18-8-10-23(20(3)12-18)31-25(33)29-17-28(7)15-22(14-27(5,6)16-28)30-26(34)32-24-11-9-19(2)13-21(24)4/h8-13,22H,14-17H2,1-7H3,(H2,29,31,33)(H2,30,32,34)InChIKey
ZAWSLYKXQZMWLJ-UHFFFAOYSA-NSynonyms
1(24dimethylphenyl)3(3((((24dimethylphenyl)carbamothioyl)amino)methyl)355trimethylcyclohexyl)thiourea
1(24DIMETHYLPHENYL)3(3(((24DIMETHYLPHENYL)CARBAMOTHIOYLAMINO)METHYL)355TRIMETHYLCYCLOHEXYL)THIOUREA
CC1=CC(=C(C=C1)NC(=S)NCC2(CC(CC(C2)(C)C)NC(=S)NC3=C(C=C(C=C3)C)C)C)C
InChI=1SC28H40N4S2c11881023(20(3)1218)3125(33)291728(7)1522(1427(56)1628)3026(34)322411919(2)1321(24)4h81322H1417H217H3(H2293133)(H2303234)
MFCD04060631
ZINC000008892213
ZINC000008892454
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