Vitas-M small molecule compound
6-(2-bromophenyl)-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Catalog ID
STL003459
SMILES Brc1ccccc1C1=Nn2c(SC1)nnc2c1n[nH]c2c1CCC2
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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 C16H13BrN6S MW 401.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrN6S/c17-11-6-2-1-4-9(11)13-8-24-16-21-20-15(23(16)22-13)14-10-5-3-7-12(10)18-19-14/h1-2,4,6H,3,5,7-8H2,(H,18,19)InChIKey
LINOPPFFAWCMNP-UHFFFAOYSA-NSynonyms
850746-02-06(2bromophenyl)3(1456tetrahydrocyclopenta(c)pyrazol3yl)7H(124)triazolo(34b)(134)thiadiazine
850746020
Brc1ccccc1C1=Nn2c(SC1)nnc2c1n(nH)c2c1CCC2
C1CC2=C(C1)NN=C2C3=NN=C4N3N=C(CS4)C5=CC=CC=C5Br
InChI=1SC16H13BrN6Sc171162149(11)1382416212015(23(16)2213)141053712(10)181914h1246H3578H2(H1819)
MFCD05693914
ZINC000005928554
ZINC05928554
ZINC5928554
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