Vitas-M small molecule compound
3-[(2,6-dichlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STK119684
SMILES C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1c1ccc(cc1)[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 C18H14Cl2N4O2S MW 421.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14Cl2N4O2S/c1-2-10-23-17(12-6-8-13(9-7-12)24(25)26)21-22-18(23)27-11-14-15(19)4-3-5-16(14)20/h2-9H,1,10-11H2InChIKey
LNTSNIRFVZSIQK-UHFFFAOYSA-NSynonyms
3((26DICHLOROBENZYL)SULFANYL)5(4NITROPHENYL)4(PROP2EN1YL)4H124TRIAZOLE
3((26DICHLOROPHENYL)METHYLSULFANYL)5(4NITROPHENYL)4PROP2ENYL124TRIAZOLE
C=CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)Cl)C3=CC=C(C=C3)(N+)(=O)(O)
C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC18H14Cl2N4O2Sc12102317(126813(9712)24(25)26)212218(23)27111415(19)43516(14)20h29H11011H2
MFCD04373214
ZINC000009805606
ZINC09805606
ZINC9805606
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