Vitas-M small molecule compound
6-[(3-cyano-5-methyl-4-phenylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK423919
SMILES N#Cc1c(NC(=O)C2CC=CCC2C(=O)O)sc(c1c1ccccc1)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 C20H18N2O3S MW 366.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O3S/c1-12-17(13-7-3-2-4-8-13)16(11-21)19(26-12)22-18(23)14-9-5-6-10-15(14)20(24)25/h2-8,14-15H,9-10H2,1H3,(H,22,23)(H,24,25)InChIKey
JEISVYDKXAUSCZ-UHFFFAOYSA-NSynonyms
6((3cyano5methyl4phenylthiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6(N(3CYANO5METHYL4PHENYL2THIENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
CC1=C(C(=C(S1)NC(=O)C2CC=CCC2C(=O)O)C#N)C3=CC=CC=C3
InChI=1SC20H18N2O3Sc11217(137324813)16(1121)19(2612)2218(23)149561015(14)20(24)25h281415H910H21H3(H2223)(H2425)
MFCD02244199
ZINC000005175470
ZINC000005175476
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