Vitas-M small molecule compound
(2E)-3-[4-(2-methylpropoxy)phenyl]-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Catalog ID
STK201378
SMILES CC(COc1ccc(cc1)/C=C(\C(=O)O)/Sc1nnc([nH]1)C)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 C16H19N3O3S MW 333.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O3S/c1-10(2)9-22-13-6-4-12(5-7-13)8-14(15(20)21)23-16-17-11(3)18-19-16/h4-8,10H,9H2,1-3H3,(H,20,21)(H,17,18,19)/b14-8+InChIKey
LAZNPHVDWWVMMN-RIYZIHGNSA-NSynonyms
(2E)3(4(2METHYLPROPOXY)PHENYL)2((5METHYL4H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
(E)3(4(2METHYLPROPOXY)PHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
CC(COc1ccc(cc1)C=C(C(=O)O)Sc1nnc((nH)1)C)C
CC1=NC(=NN1)SC(=CC2=CC=C(C=C2)OCC(C)C)C(=O)O
InChI=1SC16H19N3O3Sc110(2)922136412(5713)814(15(20)21)23161711(3)181916h4810H9H213H3(H2021)(H171819)b148+
MFCD04324887
ZINC000005955395
ZINC5955395
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