Vitas-M small molecule compound
3-(3-bromophenyl)-5-[(4-methoxy-3-nitrobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STK735265
SMILES C=CCn1c(SCc2ccc(c(c2)[N+](=O)[O-])OC)nnc1c1cccc(c1)Br
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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 C19H17BrN4O3S MW 461.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrN4O3S/c1-3-9-23-18(14-5-4-6-15(20)11-14)21-22-19(23)28-12-13-7-8-17(27-2)16(10-13)24(25)26/h3-8,10-11H,1,9,12H2,2H3InChIKey
HWWXPDCLISHZCA-UHFFFAOYSA-NSynonyms
3(3bromophenyl)5((4methoxy3nitrobenzyl)sulfanyl)4(prop2en1yl)4H124triazole
3(3BROMOPHENYL)5((4METHOXY3NITROPHENYL)METHYLSULFANYL)4PROP2ENYL124TRIAZOLE
4((5(3BROMOPHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))METHYL)1METHOXY2NITROBENZENE
C=CCn1c(SCc2ccc(c(c2)(N+)(=O)(O))OC)nnc1c1cccc(c1)Br
COC1=C(C=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)Br)(N+)(=O)(O)
InChI=1SC19H17BrN4O3Sc1392318(1454615(20)1114)212219(23)2812137817(272)16(1013)24(25)26h381011H1912H22H3
MFCD01630045
ZINC000001065612
ZINC01065612
ZINC1065612
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