Vitas-M small molecule compound
3-[(3-bromobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STK120518
SMILES C=CCn1c(SCc2cccc(c2)Br)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 C18H15BrN4O2S MW 431.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15BrN4O2S/c1-2-10-22-17(14-6-8-16(9-7-14)23(24)25)20-21-18(22)26-12-13-4-3-5-15(19)11-13/h2-9,11H,1,10,12H2InChIKey
NFDZXXPGUOQRCV-UHFFFAOYSA-NSynonyms
3((3BROMOBENZYL)SULFANYL)5(4NITROPHENYL)4(PROP2EN1YL)4H124TRIAZOLE
3((3BROMOPHENYL)METHYLSULFANYL)5(4NITROPHENYL)4PROP2ENYL124TRIAZOLE
C=CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=C(C=C3)(N+)(=O)(O)
C=CCn1c(SCc2cccc(c2)Br)nnc1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC18H15BrN4O2Sc12102217(146816(9714)23(24)25)202118(22)26121343515(19)1113h2911H11012H2
MFCD04359911
ZINC000009805650
ZINC09805650
ZINC9805650
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