Vitas-M small molecule compound
N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide
Catalog ID
STK346384
SMILES N#Cc1c(NC(=S)NC(=O)c2ccc3c(c2)OCO3)sc2c1CCC(C2)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 C19H17N3O3S2 MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O3S2/c1-10-2-4-12-13(8-20)18(27-16(12)6-10)22-19(26)21-17(23)11-3-5-14-15(7-11)25-9-24-14/h3,5,7,10H,2,4,6,9H2,1H3,(H2,21,22,23,26)InChIKey
GCXLDJMTNJWRBL-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC19H17N3O3S2c110241213(820)18(2716(12)610)2219(26)2117(23)11351415(711)2592414h35710H2469H21H3(H221222326)
MFCD03190965
N((3cyano6methyl4567tetrahydro1benzothiophen2yl)carbamothioyl)13benzodioxole5carboxamide
ZINC000005063685
ZINC000005063687
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