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-methoxybenzamide
Catalog ID
STK245486
SMILES C=CCn1c(CNC(=O)c2ccc(cc2)OC)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 C21H21ClN4O2S MW 428.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4O2S/c1-3-12-26-19(13-23-20(27)16-6-10-18(28-2)11-7-16)24-25-21(26)29-14-15-4-8-17(22)9-5-15/h3-11H,1,12-14H2,2H3,(H,23,27)InChIKey
LWAHRIJIOVPZPP-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Cl
InChI=1SC21H21ClN4O2Sc13122619(132320(27)1661018(282)11716)242521(26)2914154817(22)9515h311H11214H22H3(H2327)
MFCD08670037
N((5((4CHLOROBENZYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)4METHOXYBENZAMIDE
N((5((4CHLOROPHENYL)METHYLSULFANYL)4PROP2ENYL124TRIAZOL3YL)METHYL)4METHOXYBENZAMIDE
N(4ALLYL5(4CHLOROBENZYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)4METHOXYBENZAMIDE
ZINC000009306123
ZINC09306123
ZINC9306123
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