Vitas-M small molecule compound

N-({5-[(2-{[4-iodo-2-(propan-2-yl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-3-methylbenzamide

Catalog ID
STK125423
SMILES O=C(Nc1ccc(cc1C(C)C)I)CSc1nnc(n1C)CNC(=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 C23H26IN5O2S MW 563.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26IN5O2S/c1-14(2)18-11-17(24)8-9-19(18)26-21(30)13-32-23-28-27-20(29(23)4)12-25-22(31)16-7-5-6-15(3)10-16/h5-11,14H,12-13H2,1-4H3,(H,25,31)(H,26,30)
InChIKey
YTPCAELUTFHPSZ-UHFFFAOYSA-N
Synonyms

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3)I)C(C)C
InChI=1SC23H26IN5O2Sc114(2)181117(24)8919(18)2621(30)133223282720(29(23)4)122522(31)1675615(3)1016h51114H1213H214H3(H2531)(H2630)
MFCD03698827
N((5((2((4IODO2(PROPAN2YL)PHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
N((5((2(4IODO2ISOPROPYLANILINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
N((5(2(4IODO2PROPAN2YLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
N(5((4IODO2ISOPROPYLPHENYLCARBAMOYL)METHYLSULFANYL)4METHYL4H(124)TRIAZOL3YLMETHYL)3METHYLBENZAMIDE
ZINC000000686483
ZINC00686483
ZINC686483

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Available files

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