Vitas-M small molecule compound
3-[(3,4-dichlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STK124315
SMILES C=CCn1c(nnc1c1ccc(cc1)[N+](=O)[O-])SCc1ccc(c(c1)Cl)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 C18H14Cl2N4O2S MW 421.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14Cl2N4O2S/c1-2-9-23-17(13-4-6-14(7-5-13)24(25)26)21-22-18(23)27-11-12-3-8-15(19)16(20)10-12/h2-8,10H,1,9,11H2InChIKey
USLJUNMMECFTMT-UHFFFAOYSA-NSynonyms
3((34DICHLOROBENZYL)SULFANYL)5(4NITROPHENYL)4(PROP2EN1YL)4H124TRIAZOLE
3((34DICHLOROBENZYL)SULFANYL)5(4NITROPHENYL)4PROP2EN1YL4H124TRIAZOLE
3((34DICHLOROPHENYL)METHYLSULFANYL)5(4NITROPHENYL)4PROP2ENYL124TRIAZOLE
C=CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C3=CC=C(C=C3)(N+)(=O)(O)
C=CCn1c(nnc1c1ccc(cc1)(N+)(=O)(O))SCc1ccc(c(c1)Cl)Cl
InChI=1SC18H14Cl2N4O2Sc1292317(134614(7513)24(25)26)212218(23)2711123815(19)16(20)1012h2810H1911H2
MFCD04359508
ZINC000009833613
ZINC09833613
ZINC9833613
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