Vitas-M small molecule compound
1-(5-bromothiophen-2-yl)-2-{[4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK737331
SMILES CCn1c(SCC(=O)c2ccc(s2)Br)nnc1c1cccc(c1)[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 C16H13BrN4O3S2 MW 453.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrN4O3S2/c1-2-20-15(10-4-3-5-11(8-10)21(23)24)18-19-16(20)25-9-12(22)13-6-7-14(17)26-13/h3-8H,2,9H2,1H3InChIKey
CPPMZBMZGPQLSR-UHFFFAOYSA-NSynonyms
1(5BROMOTHIOPHEN2YL)2((4ETHYL5(3NITROPHENYL)124TRIAZOL3YL)SULFANYL)ETHANONE
1(5bromothiophen2yl)2((4ethyl5(3nitrophenyl)4H124triazol3yl)sulfanyl)ethanone
CCN1C(=NN=C1SCC(=O)C2=CC=C(S2)Br)C3=CC(=CC=C3)(N+)(=O)(O)
CCn1c(SCC(=O)c2ccc(s2)Br)nnc1c1cccc(c1)(N+)(=O)(O)
InChI=1SC16H13BrN4O3S2c122015(1043511(810)21(23)24)181916(20)25912(22)136714(17)2613h38H29H21H3
MFCD06016373
ZINC000012413684
ZINC12413684
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