Vitas-M small molecule compound
6-{[4-(4-chlorophenyl)-3-(methoxycarbonyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK423927
SMILES COC(=O)c1c(scc1c1ccc(cc1)Cl)NC(=O)C1CC=CCC1C(=O)O
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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 C20H18ClNO5S MW 419.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClNO5S/c1-27-20(26)16-15(11-6-8-12(21)9-7-11)10-28-18(16)22-17(23)13-4-2-3-5-14(13)19(24)25/h2-3,6-10,13-14H,4-5H2,1H3,(H,22,23)(H,24,25)InChIKey
CPOHMIYNVZTGNN-UHFFFAOYSA-NSynonyms
6((4(4chlorophenyl)3(methoxycarbonyl)thiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6((4(4CHLOROPHENYL)3METHOXYCARBONYLTHIOPHEN2YL)CARBAMOYL)CYCLOHEX3ENE1CARBOXYLICACID
6(N(4(4CHLOROPHENYL)3(METHOXYCARBONYL)2THIENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)C3CC=CCC3C(=O)O
InChI=1SC20H18ClNO5Sc12720(26)1615(116812(21)9711)102818(16)2217(23)13423514(13)19(24)25h236101314H45H21H3(H2223)(H2425)
MFCD01993788
ZINC000008444997
ZINC000008445000
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