Vitas-M small molecule compound
3-({3-(methoxycarbonyl)-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}carbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK424146
SMILES COC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)C3)sc(c1c1ccc(cc1)C(C)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 C25H29NO5S MW 455.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO5S/c1-12(2)14-5-7-15(8-6-14)18-13(3)32-23(21(18)25(30)31-4)26-22(27)19-16-9-10-17(11-16)20(19)24(28)29/h5-8,12,16-17,19-20H,9-11H2,1-4H3,(H,26,27)(H,28,29)InChIKey
CTEHAJJGIQWSPZ-UHFFFAOYSA-NSynonyms
2((3METHOXYCARBONYL5METHYL4(4PROPAN2YLPHENYL)THIOPHEN2YL)CARBAMOYL)BICYCLO(221)HEPTANE3CARBOXYLICACID
3((3(methoxycarbonyl)5methyl4(4(propan2yl)phenyl)thiophen2yl)carbamoyl)bicyclo(221)heptane2carboxylicacid
3(N(3(METHOXYCARBONYL)5METHYL4(4(METHYLETHYL)PHENYL)2THIENYL)CARBAMOYL)BICYCLO(221)HEPTANE2CARBOXYLICACID
CC1=C(C(=C(S1)NC(=O)C2C3CCC(C3)C2C(=O)O)C(=O)OC)C4=CC=C(C=C4)C(C)C
InChI=1SC25H29NO5Sc112(2)145715(8614)1813(3)3223(21(18)25(30)314)2622(27)191691017(1116)20(19)24(28)29h581216171920H911H214H3(H2627)(H2829)
MFCD02176918
ZINC000102187855
ZINC000138645617
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