Vitas-M small molecule compound

N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide

Catalog ID
STK303013
SMILES N#Cc1c(NC(=O)Cn2ncc(c2)[N+](=O)[O-])sc2c1CCCCCCCCCC2

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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 C20H25N5O3S MW 415.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O3S/c21-11-17-16-9-7-5-3-1-2-4-6-8-10-18(16)29-20(17)23-19(26)14-24-13-15(12-22-24)25(27)28/h12-13H,1-10,14H2,(H,23,26)
InChIKey
HKFHZBDRUBZESO-UHFFFAOYSA-N
Synonyms
1005649-36-4
1005649364
C1CCCCCC2=C(CCCC1)C(=C(S2)NC(=O)CN3C=C(C=N3)(N+)(=O)(O))C#N
InChI=1SC20H25N5O3Sc211117169753124681018(16)2920(17)2319(26)14241315(122224)25(27)28h1213H11014H2(H2326)
MFCD04048817
N#Cc1c(NC(=O)Cn2ncc(c2)(N+)(=O)(O))sc2c1CCCCCCCCCC2
N(3cyano45678910111213decahydrocyclododeca(b)thiophen2yl)2(4nitro1Hpyrazol1yl)acetamide
N(3cyano45678910111213decahydrocyclododeca(b)thiophen2yl)2(4nitropyrazol1yl)acetamide
ZINC000006828471
ZINC06828471
ZINC6828471

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Available files

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