Vitas-M small molecule compound
2-[5-({2-[(2-hydroxy-5-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide
Catalog ID
STK267223
SMILES COc1ccc(cc1)NC(=O)Cc1nnc(n1C)SCC(=O)Nc1cc(C)ccc1O
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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 C21H23N5O4S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O4S/c1-13-4-9-17(27)16(10-13)23-20(29)12-31-21-25-24-18(26(21)2)11-19(28)22-14-5-7-15(30-3)8-6-14/h4-10,27H,11-12H2,1-3H3,(H,22,28)(H,23,29)InChIKey
BUYGCAJDTKRVJO-UHFFFAOYSA-NSynonyms
2(5((2((2HYDROXY5METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)N(4METHOXYPHENYL)ACETAMIDE
2(5((2HYDROXY5METHYLPHENYLCARBAMOYL)METHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)N(4METHOXYPHENYL)ACETAMIDE
2(5(2(2hydroxy5methylanilino)2oxoethyl)sulfanyl4methyl124triazol3yl)N(4methoxyphenyl)acetamide
CC1=CC(=C(C=C1)O)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=C(C=C3)OC
InChI=1SC21H23N5O4Sc1134917(27)16(1013)2320(29)123121252418(26(21)2)1119(28)22145715(303)8614h41027H1112H213H3(H2228)(H2329)
MFCD09267864
ZINC000009583045
ZINC09583045
ZINC9583045
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