Vitas-M small molecule compound
ethyl 6-ethyl-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
STK317507
SMILES CCOC(=O)c1c(NC(=O)c2nn(cc2[N+](=O)[O-])C23CC4CC(C3)CC(C2)C4)sc2c1CCC(C2)CC
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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 C27H34N4O5S MW 526.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N4O5S/c1-3-15-5-6-19-21(10-15)37-25(22(19)26(33)36-4-2)28-24(32)23-20(31(34)35)14-30(29-23)27-11-16-7-17(12-27)9-18(8-16)13-27/h14-18H,3-13H2,1-2H3,(H,28,32)InChIKey
XWFZRRZAJAHBQT-UHFFFAOYSA-NSynonyms
492456-26-5492456265
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=NN(C=C3(N+)(=O)(O))C45CC6CC(C4)CC(C6)C5
CCOC(=O)c1c(NC(=O)c2nn(cc2(N+)(=O)(O))C23CC4CC(C3)CC(C2)C4)sc2c1CCC(C2)CC
ethyl2((1(1adamantyl)4nitropyrazole3carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl6ethyl2(((4nitro1(tricyclo(3311~37~)dec1yl)1Hpyrazol3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H34N4O5Sc1315561921(1015)3725(22(19)26(33)3642)2824(32)2320(31(34)35)1430(2923)271116717(1227)918(816)1327h1418H313H212H3(H2832)
MFCD02243769
ZINC000008454500
ZINC000008454501
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