Vitas-M small molecule compound
4-({[(5-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid
Catalog ID
STK245959
SMILES COc1ccc(cc1)NC(=O)Cc1nnc(n1C)SCC(=O)Nc1ccc(cc1)C(=O)O
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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 C21H21N5O5S MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O5S/c1-26-17(11-18(27)22-15-7-9-16(31-2)10-8-15)24-25-21(26)32-12-19(28)23-14-5-3-13(4-6-14)20(29)30/h3-10H,11-12H2,1-2H3,(H,22,27)(H,23,28)(H,29,30)InChIKey
NOUAUTNPLXKPJB-UHFFFAOYSA-NSynonyms
4((((5(2((4METHOXYPHENYL)AMINO)2OXOETHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
4((2((5(2(4methoxyanilino)2oxoethyl)4methyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
4(2(5((4METHOXYPHENYLCARBAMOYL)METHYL)4METHYL4H(124)TRIAZOL3YLSULFANYL)ACETYLAMINO)BENZOICACID
CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O)CC(=O)NC3=CC=C(C=C3)OC
InChI=1SC21H21N5O5Sc12617(1118(27)22157916(312)10815)242521(26)321219(28)23145313(4614)20(29)30h310H1112H212H3(H2227)(H2328)(H2930)
MFCD08670801
ZINC000009328537
ZINC9328537
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