Vitas-M small molecule compound
methyl 4-({[(5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK197702
SMILES COc1cccc(c1)NC(=O)Cc1nnc(n1C)SCC(=O)Nc1ccc(cc1)C(=O)OC
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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 C22H23N5O5S MW 469.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O5S/c1-27-18(12-19(28)24-16-5-4-6-17(11-16)31-2)25-26-22(27)33-13-20(29)23-15-9-7-14(8-10-15)21(30)32-3/h4-11H,12-13H2,1-3H3,(H,23,29)(H,24,28)InChIKey
WPTHIYJWTRRRJT-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)CC(=O)NC3=CC(=CC=C3)OC
InChI=1SC22H23N5O5Sc12718(1219(28)241654617(1116)312)252622(27)331320(29)23159714(81015)21(30)323h411H1213H213H3(H2329)(H2428)
METHYL4((((5(2((3METHOXYPHENYL)AMINO)2OXOETHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((5(2(3METHOXYANILINO)2OXOETHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04380776
ZINC000009261261
ZINC09261261
ZINC9261261
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