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)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK317551
SMILES COC(=O)c1c(NC(=O)c2nn(cc2[N+](=O)[O-])C23CC4CC(C3)CC(C2)C4)sc2c1CCC(C2)c1ccccc1
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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 C30H32N4O5S MW 560.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O5S/c1-39-29(36)25-22-8-7-21(20-5-3-2-4-6-20)12-24(22)40-28(25)31-27(35)26-23(34(37)38)16-33(32-26)30-13-17-9-18(14-30)11-19(10-17)15-30/h2-6,16-19,21H,7-15H2,1H3,(H,31,35)InChIKey
HIHSRILMKHFEGP-UHFFFAOYSA-NSynonyms
492456-36-7492456367
COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C4=NN(C=C4(N+)(=O)(O))C56CC7CC(C5)CC(C7)C6
COC(=O)c1c(NC(=O)c2nn(cc2(N+)(=O)(O))C23CC4CC(C3)CC(C2)C4)sc2c1CCC(C2)c1ccccc1
InChI=1SC30H32N4O5Sc13929(36)25228721(205324620)1224(22)4028(25)3127(35)2623(34(37)38)1633(3226)301317918(1430)1119(1017)1530h26161921H715H21H3(H3135)
methyl2(((4nitro1(tricyclo(3311~37~)dec1yl)1Hpyrazol3yl)carbonyl)amino)6phenyl4567tetrahydro1benzothiophene3carboxylate
methyl2((1(1adamantyl)4nitropyrazole3carbonyl)amino)6phenyl4567tetrahydro1benzothiophene3carboxylate
MFCD02373597
ZINC000008454506
ZINC000008454507
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.