Vitas-M small molecule compound
2-({3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)-N-cyclohexylhydrazinecarbothioamide
Catalog ID
STL395047
SMILES S=C(NC1CCCCC1)NNC(=O)c1cccc(c1)Cn1nc(c(c1C)Br)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 C20H26BrN5OS MW 464.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26BrN5OS/c1-13-18(21)14(2)26(25-13)12-15-7-6-8-16(11-15)19(27)23-24-20(28)22-17-9-4-3-5-10-17/h6-8,11,17H,3-5,9-10,12H2,1-2H3,(H,23,27)(H2,22,24,28)InChIKey
KOBUZPBUYHKFCD-UHFFFAOYSA-NSynonyms
1005681-73-1(3((4BROMO35DIMETHYLPYRAZOLYL)METHYL)PHENYL)N(((CYCLOHEXYLAMINO)THIOXOMETHYL)AMINO)CARBOXAMIDE
1((3((4BROMO35DIMETHYLPYRAZOL1YL)METHYL)BENZOYL)AMINO)3CYCLOHEXYLTHIOUREA
1005681731
2((3((4BROMO35DIMETHYL1HPYRAZOL1YL)METHYL)PHENYL)CARBONYL)NCYCLOHEXYLHYDRAZINECARBOTHIOAMIDE
CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NNC(=S)NC3CCCCC3)C)Br
InChI=1SC20H26BrN5OSc11318(21)14(2)26(2513)121576816(1115)19(27)232420(28)221794351017h681117H3591012H212H3(H2327)(H2222428)
MFCD04131744
ZINC000002795542
ZINC02795542
ZINC2795542
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