Vitas-M small molecule compound
methyl 4-{[({5-[(2,4-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STK187071
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OC)nnc1COc1ccc(cc1C)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 C24H26N4O4S MW 466.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O4S/c1-5-12-28-21(14-32-20-11-6-16(2)13-17(20)3)26-27-24(28)33-15-22(29)25-19-9-7-18(8-10-19)23(30)31-4/h5-11,13H,1,12,14-15H2,2-4H3,(H,25,29)InChIKey
QYIKMRFIVXDWQT-UHFFFAOYSA-NSynonyms
4(2(4ALLYL5(24DIMETHYLPHENOXYMETHYL)4H(124)TRIAZOL3YLSULFANYL)ACETYLAMINO)BENZOICACIDMETHYLESTER
CC1=CC(=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C
InChI=1SC24H26N4O4Sc15122821(14322011616(2)1317(20)3)262724(28)331522(29)25199718(81019)23(30)314h51113H1121415H224H3(H2529)
METHYL4((((5((24DIMETHYLPHENOXY)METHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((5((24DIMETHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD06005709
ZINC000001058347
ZINC01058347
ZINC1058347
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