Vitas-M small molecule compound

N-{[2-(4-butylphenyl)-6-chloro-2H-benzotriazol-5-yl]carbamothioyl}-3-methylbutanamide

Catalog ID
STK390928
SMILES CCCCc1ccc(cc1)n1nc2c(n1)cc(c(c2)Cl)NC(=S)NC(=O)CC(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 C22H26ClN5OS MW 444.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26ClN5OS/c1-4-5-6-15-7-9-16(10-8-15)28-26-19-12-17(23)18(13-20(19)27-28)24-22(30)25-21(29)11-14(2)3/h7-10,12-14H,4-6,11H2,1-3H3,(H2,24,25,29,30)
InChIKey
TYOKCWYCFBGWSM-UHFFFAOYSA-N
Synonyms

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)CC(C)C
InChI=1SC22H26ClN5OSc1456157916(10815)2826191217(23)18(1320(19)2728)2422(30)2521(29)1114(2)3h7101214H4611H213H3(H224252930)
MFCD03837015
N(((2(4BUTYLPHENYL)6CHLORO(2HYDROBENZOTRIAZOL5YL))AMINO)THIOXOMETHYL)3METHYLBUTANAMIDE
N((2(4butylphenyl)6chloro2Hbenzotriazol5yl)carbamothioyl)3methylbutanamide
N((2(4BUTYLPHENYL)6CHLOROBENZOTRIAZOL5YL)CARBAMOTHIOYL)3METHYLBUTANAMIDE
ZINC000016193198
ZINC16193198

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Available files

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