Vitas-M small molecule compound
6-[(3-carbamoyl-4,5-dihydronaphtho[1,2-b]thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK468625
SMILES O=C(C1CC=CCC1C(=O)O)Nc1sc2c(c1C(=O)N)CCc1c2cccc1
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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 C21H20N2O4S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O4S/c22-18(24)16-15-10-9-11-5-1-2-6-12(11)17(15)28-20(16)23-19(25)13-7-3-4-8-14(13)21(26)27/h1-6,13-14H,7-10H2,(H2,22,24)(H,23,25)(H,26,27)InChIKey
BNIADBZZTPKISR-UHFFFAOYSA-NSynonyms
6((3carbamoyl45dihydrobenzo(g)(1)benzothiol2yl)carbamoyl)cyclohex3ene1carboxylicacid
6((3carbamoyl45dihydronaphtho(12b)thiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6(N(3CARBAMOYL45DIHYDROBENZO(G)BENZO(B)THIOPHEN2YL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
C1CC2=C(C3=CC=CC=C31)SC(=C2C(=O)N)NC(=O)C4CC=CCC4C(=O)O
InChI=1SC21H20N2O4Sc2218(24)161510911512612(11)17(15)2820(16)2319(25)13734814(13)21(26)27h161314H710H2(H22224)(H2325)(H2627)
MFCD06026164
ZINC000017081017
ZINC000017081020
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