Vitas-M small molecule compound
3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK376079
SMILES O=C(C1C2C=CC(C1C(=O)O)C2)Nc1sc(c(c1C(=O)N)C)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 C16H18N2O4S MW 334.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O4S/c1-6-7(2)23-15(10(6)13(17)19)18-14(20)11-8-3-4-9(5-8)12(11)16(21)22/h3-4,8-9,11-12H,5H2,1-2H3,(H2,17,19)(H,18,20)(H,21,22)InChIKey
WKVDMNIPXXPBAD-UHFFFAOYSA-NSynonyms
6132-22-52((3CARBAMOYL45DIMETHYLTHIOPHEN2YL)CARBAMOYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((3carbamoyl45dimethylthiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
6132225
CC1=C(SC(=C1C(=O)N)NC(=O)C2C3CC(C2C(=O)O)C=C3)C
InChI=1SC16H18N2O4Sc167(2)2315(10(6)13(17)19)1814(20)118349(58)12(11)16(21)22h34891112H5H212H3(H21719)(H1820)(H2122)
MFCD01351964
ZINC000100686159
ZINC000239235647
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