Vitas-M small molecule compound
N-(3-chloro-4-methylphenyl)-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK117787
SMILES COc1cccc2c1oc(c2)c1nnc(n1C)SCC(=O)Nc1ccc(c(c1)Cl)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 C21H19ClN4O3S MW 442.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O3S/c1-12-7-8-14(10-15(12)22)23-18(27)11-30-21-25-24-20(26(21)2)17-9-13-5-4-6-16(28-3)19(13)29-17/h4-10H,11H2,1-3H3,(H,23,27)InChIKey
PTSMPDWTZVYEIW-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC4=C(O3)C(=CC=C4)OC)Cl
InChI=1SC21H19ClN4O3Sc1127814(1015(12)22)2318(27)113021252420(26(21)2)1791354616(283)19(13)2917h410H11H213H3(H2327)
MFCD04127881
N(3CHLORO4METHYLPHENYL)2((5(7METHOXY1BENZOFURAN2YL)4METHYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(3CHLORO4METHYLPHENYL)2((5(7METHOXY1BENZOFURAN2YL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(3CHLORO4METHYLPHENYL)2(5(7METHOXYBENZOFURAN2YL)4METHYL4H(124)TRIAZOL3YLSULFANYL)ACETAMIDE
ZINC000009260628
ZINC09260628
ZINC9260628
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