Vitas-M small molecule compound

N-[4-({2-[(3-methylbutanoyl)carbamothioyl]hydrazinyl}carbonyl)phenyl]cyclohexanecarboxamide

Catalog ID
STK947956
SMILES CC(CC(=O)NC(=S)NNC(=O)c1ccc(cc1)NC(=O)C1CCCCC1)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 C20H28N4O3S MW 404.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N4O3S/c1-13(2)12-17(25)22-20(28)24-23-19(27)15-8-10-16(11-9-15)21-18(26)14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3,(H,21,26)(H,23,27)(H2,22,24,25,28)
InChIKey
HOIWOHXYWAGCAB-UHFFFAOYSA-N
Synonyms

CC(C)CC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2CCCCC2
InChI=1SC20H28N4O3Sc113(2)1217(25)2220(28)242319(27)1581016(11915)2118(26)146435714h8111314H3712H212H3(H2126)(H2327)(H222242528)
MFCD05655428
N(4(((((3METHYL1OXOBUTYL)AMINO)SULFANYLIDENEMETHYL)HYDRAZO)OXOMETHYL)PHENYL)CYCLOHEXANECARBOXAMIDE
N(4((2(((3METHYLBUTANOYL)AMINO)CARBONOTHIOYL)HYDRAZINO)CARBONYL)PHENYL)CYCLOHEXANECARBOXAMIDE
N(4((2((3methylbutanoyl)carbamothioyl)hydrazinyl)carbonyl)phenyl)cyclohexanecarboxamide
N(4((3METHYLBUTANOYLCARBAMOTHIOYLAMINO)CARBAMOYL)PHENYL)CYCLOHEXANECARBOXAMIDE
N(4((ISOVALERYLTHIOCARBAMOYLAMINO)CARBAMOYL)PHENYL)CYCLOHEXANECARBOXAMIDE
ZINC000005028102
ZINC05028102
ZINC5028102

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.