Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazole-3-carboxamide
Catalog ID
STL391132
SMILES N#Cc1c(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 C23H25N5O3S MW 451.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O3S/c24-11-17-16-3-1-2-4-19(16)32-22(17)25-21(29)20-18(28(30)31)12-27(26-20)23-8-13-5-14(9-23)7-15(6-13)10-23/h12-15H,1-10H2,(H,25,29)InChIKey
SLFWTXYQDLNKBS-UHFFFAOYSA-NSynonyms
492456-28-71(1adamantyl)N(3cyano4567tetrahydro1benzothiophen2yl)4nitropyrazole3carboxamide
492456287
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN(C=C3(N+)(=O)(O))C45CC6CC(C4)CC(C6)C5)C#N
InChI=1SC23H25N5O3Sc24111716312419(16)3222(17)2521(29)2018(28(30)31)1227(2620)23813514(923)715(613)1023h1215H110H2(H2529)
N#Cc1c(sc2c1CCCC2)NC(=O)c1nn(cc1(N+)(=O)(O))C12CC3CC(C2)CC(C1)C3
N(3cyano4567tetrahydro1benzothiophen2yl)4nitro1(tricyclo(3311~37~)dec1yl)1Hpyrazole3carboxamide
ZINC000020601950
ZINC20601950
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