Vitas-M small molecule compound
dimethyl 5-{[({5-[(4-chloro-3-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzene-1,3-dicarboxylate
Catalog ID
STK473717
SMILES C=CCn1c(SCC(=O)Nc2cc(cc(c2)C(=O)OC)C(=O)OC)nnc1COc1ccc(c(c1)C)Cl
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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 C25H25ClN4O6S MW 545.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN4O6S/c1-5-8-30-21(13-36-19-6-7-20(26)15(2)9-19)28-29-25(30)37-14-22(31)27-18-11-16(23(32)34-3)10-17(12-18)24(33)35-4/h5-7,9-12H,1,8,13-14H2,2-4H3,(H,27,31)InChIKey
VLFMJGXLVPYOJJ-UHFFFAOYSA-NSynonyms
CC1=C(C=CC(=C1)OCC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)Cl
dimethyl5((((5((4chloro3methylphenoxy)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzene13dicarboxylate
dimethyl5((2((5((4chloro3methylphenoxy)methyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)amino)benzene13dicarboxylate
InChI=1SC25H25ClN4O6Sc1583021(1336196720(26)15(2)919)282925(30)371422(31)27181116(23(32)343)1017(1218)24(33)354h57912H181314H224H3(H2731)
METHYL5(2(5((4CHLORO3METHYLPHENOXY)METHYL)4PROP2ENYL(124TRIAZOL3YLTHIO))ACETYLAMINO)3(METHOXYCARBONYL)BENZOATE
MFCD07075320
ZINC000097947881
ZINC97947881
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