Vitas-M small molecule compound

3-methyl-N-(4-{[2-(pentanoylcarbamothioyl)hydrazinyl]carbonyl}phenyl)benzamide

Catalog ID
STL064017
SMILES CCCCC(=O)NC(=S)NNC(=O)c1ccc(cc1)NC(=O)c1cccc(c1)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 C21H24N4O3S MW 412.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O3S/c1-3-4-8-18(26)23-21(29)25-24-20(28)15-9-11-17(12-10-15)22-19(27)16-7-5-6-14(2)13-16/h5-7,9-13H,3-4,8H2,1-2H3,(H,22,27)(H,24,28)(H2,23,25,26,29)
InChIKey
QXDDKBLKZJJRDJ-UHFFFAOYSA-N
Synonyms

3methylN(4((2(pentanoylcarbamothioyl)hydrazinyl)carbonyl)phenyl)benzamide
3METHYLN(4((PENTANOYLCARBAMOTHIOYLAMINO)CARBAMOYL)PHENYL)BENZAMIDE
CCCCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)C
InChI=1SC21H24N4O3Sc134818(26)2321(29)252420(28)1591117(121015)2219(27)1675614(2)1316h57913H348H212H3(H2227)(H2428)(H223252629)
MFCD05054744
ZINC000007260902
ZINC07260902
ZINC7260902

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Available files

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