Vitas-M small molecule compound
4-chloro-N-[2-(5-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Catalog ID
STK267124
SMILES COc1cccc(c1)C(=O)CSc1nnc(n1C)CCNC(=O)c1ccc(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 C21H21ClN4O3S MW 444.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4O3S/c1-26-19(10-11-23-20(28)14-6-8-16(22)9-7-14)24-25-21(26)30-13-18(27)15-4-3-5-17(12-15)29-2/h3-9,12H,10-11,13H2,1-2H3,(H,23,28)InChIKey
CNEKLJKDRRUTON-UHFFFAOYSA-NSynonyms
4CHLORON(2(5((2(3METHOXYPHENYL)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)BENZAMIDE
4chloroN(2(5(2(3methoxyphenyl)2oxoethyl)sulfanyl4methyl124triazol3yl)ethyl)benzamide
4CHLORON(2(5(2(3METHOXYPHENYL)2OXOETHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)ETHYL)BENZAMIDE
CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)OC)CCNC(=O)C3=CC=C(C=C3)Cl
InChI=1SC21H21ClN4O3Sc12619(10112320(28)146816(22)9714)242521(26)301318(27)1543517(1215)292h3912H101113H212H3(H2328)
MFCD09267773
ZINC000009582658
ZINC09582658
ZINC9582658
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