Vitas-M small molecule compound
methyl 4-({2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoyl}amino)benzoate
Catalog ID
STK209084
SMILES CCCCc1nnc([nH]1)SC(C(=O)Nc1ccc(cc1)C(=O)OC)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 C17H22N4O3S MW 362.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O3S/c1-4-5-6-14-19-17(21-20-14)25-11(2)15(22)18-13-9-7-12(8-10-13)16(23)24-3/h7-11H,4-6H2,1-3H3,(H,18,22)(H,19,20,21)InChIKey
DXUUJWSJNKMRQB-UHFFFAOYSA-NSynonyms
826997-75-5826997755
CCCCC1=NC(=NN1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)OC
CCCCc1nnc((nH)1)SC(C(=O)Nc1ccc(cc1)C(=O)OC)C
InChI=1SC17H22N4O3Sc1456141917(212014)2511(2)15(22)18139712(81013)16(23)243h711H46H213H3(H1822)(H192021)
METHYL4((2((5BUTYL4H124TRIAZOL3YL)SULFANYL)PROPANOYL)AMINO)BENZOATE
METHYL4(2((5BUTYL1H124TRIAZOL3YL)SULFANYL)PROPANOYLAMINO)BENZOATE
MFCD06623594
ZINC000004776605
ZINC000004776608
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