Vitas-M small molecule compound
6-({4-(2-chlorophenyl)-3-[(propan-2-yloxy)carbonyl]thiophen-2-yl}carbamoyl)cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK471799
SMILES CC(OC(=O)c1c(scc1c1ccccc1Cl)NC(=O)C1CC=CCC1C(=O)O)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 C22H22ClNO5S MW 447.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClNO5S/c1-12(2)29-22(28)18-16(13-7-5-6-10-17(13)23)11-30-20(18)24-19(25)14-8-3-4-9-15(14)21(26)27/h3-7,10-12,14-15H,8-9H2,1-2H3,(H,24,25)(H,26,27)InChIKey
VGDSRFBJXVOWLK-UHFFFAOYSA-NSynonyms
6((4(2chlorophenyl)3((propan2yloxy)carbonyl)thiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6((4(2chlorophenyl)3propan2yloxycarbonylthiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6(N(4(2CHLOROPHENYL)3((METHYLETHYL)OXYCARBONYL)2THIENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
CC(C)OC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)C3CC=CCC3C(=O)O
InChI=1SC22H22ClNO5Sc112(2)2922(28)1816(137561017(13)23)113020(18)2419(25)14834915(14)21(26)27h3710121415H89H212H3(H2425)(H2627)
MFCD02255040
ZINC000019646671
ZINC000019646679
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