Vitas-M small molecule compound
N-(1-{5-[(3,4-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}-2-hydroxyethyl)-4-methoxybenzamide
Catalog ID
STK186863
SMILES C=CCn1c(nnc1C(NC(=O)c1ccc(cc1)OC)CO)SCc1ccc(c(c1)Cl)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 C22H22Cl2N4O3S MW 493.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22Cl2N4O3S/c1-3-10-28-20(19(12-29)25-21(30)15-5-7-16(31-2)8-6-15)26-27-22(28)32-13-14-4-9-17(23)18(24)11-14/h3-9,11,19,29H,1,10,12-13H2,2H3,(H,25,30)InChIKey
NRIALKIKKKHZFU-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)C(=O)NC(CO)C2=NN=C(N2CC=C)SCC3=CC(=C(C=C3)Cl)Cl
InChI=1SC22H22Cl2N4O3Sc13102820(19(1229)2521(30)155716(312)8615)262722(28)3213144917(23)18(24)1114h39111929H1101213H22H3(H2530)
MFCD06003500
N(1(4ALLYL5((34DICHLOROBENZYL)THIO)4H124TRIAZOL3YL)2HYDROXYETHYL)4METHOXYBENZAMIDE
N(1(5((34DICHLOROBENZYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)2HYDROXYETHYL)4METHOXYBENZAMIDE
N(1(5((34DICHLOROPHENYL)METHYLSULFANYL)4PROP2ENYL124TRIAZOL3YL)2HYDROXYETHYL)4METHOXYBENZAMIDE
ZINC000001050770
ZINC000001050772
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