Vitas-M small molecule compound
2-ethyl 4-methyl 3-methyl-5-({[4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-3-yl]carbonyl}amino)thiophene-2,4-dicarboxylate
Catalog ID
STK317510
SMILES CCOC(=O)c1sc(c(c1C)C(=O)OC)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 C24H28N4O7S MW 516.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4O7S/c1-4-35-23(31)19-12(2)17(22(30)34-3)21(36-19)25-20(29)18-16(28(32)33)11-27(26-18)24-8-13-5-14(9-24)7-15(6-13)10-24/h11,13-15H,4-10H2,1-3H3,(H,25,29)InChIKey
QBKLXQKWXKFRSU-UHFFFAOYSA-NSynonyms
492457-06-42ethyl4methyl3methyl5(((4nitro1(tricyclo(3311~37~)dec1yl)1Hpyrazol3yl)carbonyl)amino)thiophene24dicarboxylate
2ETHYL4METHYL5(((1(1ADAMANTYL)4NITRO1HPYRAZOL3YL)CARBONYL)AMINO)3METHYL24THIOPHENEDICARBOXYLATE
2OETHYL4OMETHYL5((1(1ADAMANTYL)4NITROPYRAZOLE3CARBONYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
492457064
CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=NN(C=C2(N+)(=O)(O))C34CC5CC(C3)CC(C5)C4)C(=O)OC)C
CCOC(=O)c1sc(c(c1C)C(=O)OC)NC(=O)c1nn(cc1(N+)(=O)(O))C12CC3CC(C2)CC(C1)C3
InChI=1SC24H28N4O7Sc143523(31)1912(2)17(22(30)343)21(3619)2520(29)1816(28(32)33)1127(2618)24813514(924)715(613)1024h111315H410H213H3(H2529)
MFCD02243861
ZINC000008454527
ZINC08454527
ZINC8454527
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.