Vitas-M small molecule compound
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Catalog ID
STK302358
SMILES N#Cc1c(sc2c1CCCCCCCCCC2)NC(=O)c1nn(cc1[N+](=O)[O-])C
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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/c1-24-13-16(25(27)28)18(23-24)19(26)22-20-15(12-21)14-10-8-6-4-2-3-5-7-9-11-17(14)29-20/h13H,2-11H2,1H3,(H,22,26)InChIKey
XIHMKDWVGGUCST-UHFFFAOYSA-NSynonyms
512823-35-7512823357
CN1C=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCCCCCCCC3)C#N)(N+)(=O)(O)
InChI=1SC20H25N5O3Sc1241316(25(27)28)18(2324)19(26)222015(1221)1410864235791117(14)2920h13H211H21H3(H2226)
MFCD03468375
N#Cc1c(sc2c1CCCCCCCCCC2)NC(=O)c1nn(cc1(N+)(=O)(O))C
N(3cyano45678910111213decahydrocyclododeca(b)thiophen2yl)1methyl4nitro1Hpyrazole3carboxamide
N(3cyano45678910111213decahydrocyclododeca(b)thiophen2yl)1methyl4nitropyrazole3carboxamide
ZINC000000653594
ZINC00653594
ZINC653594
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