Vitas-M small molecule compound
6-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK451867
SMILES N#Cc1c(NC(=O)C2CC(=C(CC2C(=O)O)C)C)sc2c1CCCCC2
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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 C20H24N2O3S MW 372.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O3S/c1-11-8-14(15(20(24)25)9-12(11)2)18(23)22-19-16(10-21)13-6-4-3-5-7-17(13)26-19/h14-15H,3-9H2,1-2H3,(H,22,23)(H,24,25)InChIKey
NKTRLUSSRPFGFM-UHFFFAOYSA-NSynonyms
6((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
CC1=C(CC(C(C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C#N)C(=O)O)C
InChI=1SC20H24N2O3Sc111814(15(20(24)25)912(11)2)18(23)221916(1021)136435717(13)2619h1415H39H212H3(H2223)(H2425)
MFCD02608737
ZINC000002793059
ZINC000005523279
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