Vitas-M small molecule compound
methyl 4-{[({5-[4-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STK122005
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)c1ccc(cc1)NC(=O)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 C21H21N5O4S MW 439.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4S/c1-13(27)22-16-8-4-14(5-9-16)19-24-25-21(26(19)2)31-12-18(28)23-17-10-6-15(7-11-17)20(29)30-3/h4-11H,12H2,1-3H3,(H,22,27)(H,23,28)InChIKey
VUHMWKQAAZXECQ-UHFFFAOYSA-NSynonyms
CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)C(=O)OC
InChI=1SC21H21N5O4Sc113(27)22168414(5916)19242521(26(19)2)311218(28)231710615(71117)20(29)303h411H12H213H3(H2227)(H2328)
METHYL4((((5(4(ACETYLAMINO)PHENYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((5(4ACETAMIDOPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD03996131
ZINC000002836887
ZINC02836887
ZINC2836887
Check stock
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