Vitas-M small molecule compound
3-{[3-carbamoyl-5-(propan-2-yl)thiophen-2-yl]carbamoyl}-7-(propan-2-ylidene)bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK469183
SMILES CC(c1sc(c(c1)C(=O)N)NC(=O)C1C(C(=O)O)C2C(=C(C)C)C1CC2)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 C20H26N2O4S MW 390.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N2O4S/c1-8(2)13-7-12(17(21)23)19(27-13)22-18(24)15-10-5-6-11(14(10)9(3)4)16(15)20(25)26/h7-8,10-11,15-16H,5-6H2,1-4H3,(H2,21,23)(H,22,24)(H,25,26)InChIKey
CMENHWNZDUNOFG-UHFFFAOYSA-NSynonyms
2((3carbamoyl5propan2ylthiophen2yl)carbamoyl)7propan2ylidenebicyclo(221)heptane3carboxylicacid
3((3carbamoyl5(propan2yl)thiophen2yl)carbamoyl)7(propan2ylidene)bicyclo(221)heptane2carboxylicacid
3(N(3CARBAMOYL5(METHYLETHYL)(2THIENYL))CARBAMOYL)7(METHYLETHYLIDENE)BICYCLO(221)HEPTANE2CARBOXYLICACID
CC(C)C1=CC(=C(S1)NC(=O)C2C3CCC(C2C(=O)O)C3=C(C)C)C(=O)N
InChI=1SC20H26N2O4Sc18(2)13712(17(21)23)19(2713)2218(24)15105611(14(10)9(3)4)16(15)20(25)26h7810111516H56H214H3(H22123)(H2224)(H2526)
MFCD06030607
ZINC000102336114
ZINC000239030870
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