Vitas-M small molecule compound
N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-4-methoxybenzamide
Catalog ID
STK840684
SMILES COc1ccc(cc1)C(=O)NC(=S)Nc1sc2c(c1C#N)CCCCCC2
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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 C20H21N3O2S2 MW 399.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O2S2/c1-25-14-10-8-13(9-11-14)18(24)22-20(26)23-19-16(12-21)15-6-4-2-3-5-7-17(15)27-19/h8-11H,2-7H2,1H3,(H2,22,23,24,26)InChIKey
NTSVXDRRAVFXHT-UHFFFAOYSA-NSynonyms
370576-87-7370576877
COC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C#N
InChI=1SC20H21N3O2S2c1251410813(91114)18(24)2220(26)231916(1221)1564235717(15)2719h811H27H21H3(H222232426)
MFCD01994138
N((3cyano456789hexahydrocycloocta(b)thiophen2yl)carbamothioyl)4methoxybenzamide
ZINC000002316689
ZINC02316689
ZINC2316689
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