Vitas-M small molecule compound
methyl 2-chloro-5-({[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK139939
SMILES CCn1c(SCC(=O)Nc2ccc(c(c2)C(=O)OC)Cl)nnc1COc1ccc(cc1)C(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 C24H27ClN4O4S MW 503.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27ClN4O4S/c1-5-29-21(13-33-18-9-6-16(7-10-18)15(2)3)27-28-24(29)34-14-22(30)26-17-8-11-20(25)19(12-17)23(31)32-4/h6-12,15H,5,13-14H2,1-4H3,(H,26,30)InChIKey
XZRDKPPUQGZURZ-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)COC3=CC=C(C=C3)C(C)C
InChI=1SC24H27ClN4O4Sc152921(1333189616(71018)15(2)3)272824(29)341422(30)261781120(25)19(1217)23(31)324h61215H51314H214H3(H2630)
METHYL2CHLORO5((((4ETHYL5((4(PROPAN2YL)PHENOXY)METHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2CHLORO5((2((4ETHYL5((4PROPAN2YLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04212360
ZINC000002840585
ZINC02840585
ZINC2840585
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