Vitas-M small molecule compound
3-(3-methylphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STL026035
SMILES C=CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1cccc(c1)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 C19H18N4O2S MW 366.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O2S/c1-3-11-22-18(16-6-4-5-14(2)12-16)20-21-19(22)26-13-15-7-9-17(10-8-15)23(24)25/h3-10,12H,1,11,13H2,2H3InChIKey
CPPYEMGUXNLTNU-UHFFFAOYSA-NSynonyms
714924-00-23(3METHYLPHENYL)5(((4NITROPHENYL)METHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOLE
3(3methylphenyl)5((4nitrobenzyl)sulfanyl)4(prop2en1yl)4H124triazole
3(3METHYLPHENYL)5((4NITROPHENYL)METHYLSULFANYL)4PROP2ENYL124TRIAZOLE
4allyl3((4nitrobenzyl)thio)5(mtolyl)4H124triazole
5(3METHYLPHENYL)3((4NITROPHENYL)METHYLTHIO)4PROP2ENYL124TRIAZOLE
714924002
C=CCn1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1cccc(c1)C
CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC19H18N4O2Sc13112218(1664514(2)1216)202119(22)2613157917(10815)23(24)25h31012H11113H22H3
MFCD05532718
ZINC000005478396
ZINC05478396
ZINC5478396
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