Vitas-M small molecule compound
2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone
Catalog ID
STK187023
SMILES Clc1ccc(c(c1)Cl)OCCCc1nnc(n1C)SCC(=O)c1cccc(c1)[N+](=O)[O-]
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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 C20H18Cl2N4O4S MW 481.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18Cl2N4O4S/c1-25-19(6-3-9-30-18-8-7-14(21)11-16(18)22)23-24-20(25)31-12-17(27)13-4-2-5-15(10-13)26(28)29/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3InChIKey
QLBQGXCJZAIXHK-UHFFFAOYSA-NSynonyms
2((5(3(24DICHLOROPHENOXY)PROPYL)4METHYL124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2((5(3(24DICHLOROPHENOXY)PROPYL)4METHYL4H124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
Clc1ccc(c(c1)Cl)OCCCc1nnc(n1C)SCC(=O)c1cccc(c1)(N+)(=O)(O)
CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))CCCOC3=C(C=C(C=C3)Cl)Cl
InChI=1SC20H18Cl2N4O4Sc12519(63930188714(21)1116(18)22)232420(25)311217(27)1342515(1013)26(28)29h245781011H36912H21H3
MFCD06630242
ZINC000009262816
ZINC09262816
ZINC9262816
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