Vitas-M small molecule compound
3-(2-methoxyphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STL026085
SMILES C=CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccccc1OC
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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 C19H18N4O3S MW 382.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O3S/c1-3-12-22-18(16-6-4-5-7-17(16)26-2)20-21-19(22)27-13-14-8-10-15(11-9-14)23(24)25/h3-11H,1,12-13H2,2H3InChIKey
NXMIYYOUGYWWEO-UHFFFAOYSA-NSynonyms
713126-03-52METHOXY1(5((4NITROPHENYL)METHYLTHIO)4PROP2ENYL(124TRIAZOL3YL))BENZENE
3(2METHOXYPHENYL)5(((4NITROPHENYL)METHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOLE
3(2methoxyphenyl)5((4nitrobenzyl)sulfanyl)4(prop2en1yl)4H124triazole
3(2METHOXYPHENYL)5((4NITROPHENYL)METHYLSULFANYL)4PROP2ENYL124TRIAZOLE
4allyl3(2methoxyphenyl)5((4nitrobenzyl)thio)4H124triazole
713126035
C=CCn1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1ccccc1OC
COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC19H18N4O3Sc13122218(16645717(16)262)202119(22)27131481015(11914)23(24)25h311H11213H22H3
MFCD05686221
ZINC000005499456
ZINC05499456
ZINC5499456
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