Vitas-M small molecule compound
methyl 2-({[4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK317512
SMILES COC(=O)c1c(sc2c1CCCC2)NC(=O)c1nn(cc1[N+](=O)[O-])C12CC3CC(C2)CC(C1)C3
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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 C24H28N4O5S MW 484.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4O5S/c1-33-23(30)19-16-4-2-3-5-18(16)34-22(19)25-21(29)20-17(28(31)32)12-27(26-20)24-9-13-6-14(10-24)8-15(7-13)11-24/h12-15H,2-11H2,1H3,(H,25,29)InChIKey
CVSBYZXXCYGUGB-UHFFFAOYSA-NSynonyms
492456-27-6492456276
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN(C=C3(N+)(=O)(O))C45CC6CC(C4)CC(C6)C5
COC(=O)c1c(sc2c1CCCC2)NC(=O)c1nn(cc1(N+)(=O)(O))C12CC3CC(C2)CC(C1)C3
InChI=1SC24H28N4O5Sc13323(30)1916423518(16)3422(19)2521(29)2017(28(31)32)1227(2620)24913614(1024)815(713)1124h1215H211H21H3(H2529)
methyl2(((4nitro1(tricyclo(3311~37~)dec1yl)1Hpyrazol3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((1(1adamantyl)4nitropyrazole3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD02243882
ZINC000012649922
ZINC12649922
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