Vitas-M small molecule compound
N-({5-[(4-chlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)-4-methylbenzamide
Catalog ID
STL138477
SMILES C=CCn1c(CNC(=O)c2ccc(cc2)C)nnc1SCc1ccc(cc1)Cl
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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 C21H21ClN4OS MW 412.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4OS/c1-3-12-26-19(13-23-20(27)17-8-4-15(2)5-9-17)24-25-21(26)28-14-16-6-10-18(22)11-7-16/h3-11H,1,12-14H2,2H3,(H,23,27)InChIKey
MWBSSAYIDZXFGZ-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Cl
InChI=1SC21H21ClN4OSc13122619(132320(27)178415(2)5917)242521(26)28141661018(22)11716h311H11214H22H3(H2327)
MFCD17011034
N((5((4chlorobenzyl)sulfanyl)4(prop2en1yl)4H124triazol3yl)methyl)4methylbenzamide
N((5((4CHLOROPHENYL)METHYLSULFANYL)4PROP2ENYL124TRIAZOL3YL)METHYL)4METHYLBENZAMIDE
ZINC000006204306
ZINC06204306
ZINC6204306
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