Vitas-M small molecule compound
3-{[3-(methoxycarbonyl)-5-propylthiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK472068
SMILES CCCc1cc(c(s1)NC(=O)C1C2C=CC(C1C(=O)O)C2)C(=O)OC
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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 C18H21NO5S MW 363.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO5S/c1-3-4-11-8-12(18(23)24-2)16(25-11)19-15(20)13-9-5-6-10(7-9)14(13)17(21)22/h5-6,8-10,13-14H,3-4,7H2,1-2H3,(H,19,20)(H,21,22)InChIKey
VWCOTKSDEHMCLP-UHFFFAOYSA-NSynonyms
2((3methoxycarbonyl5propylthiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3(methoxycarbonyl)5propylthiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(3(METHOXYCARBONYL)5PROPYL2THIENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CCCC1=CC(=C(S1)NC(=O)C2C3CC(C2C(=O)O)C=C3)C(=O)OC
InChI=1SC18H21NO5Sc13411812(18(23)242)16(2511)1915(20)1395610(79)14(13)17(21)22h568101314H347H212H3(H1920)(H2122)
MFCD06060753
ZINC000102345712
ZINC000239235378
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