Vitas-M small molecule compound

3-{[3-(methoxycarbonyl)-4-(naphthalen-2-yl)thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Catalog ID
STK466730
SMILES COC(=O)c1c(scc1c1ccc2c(c1)cccc2)NC(=O)C1C2C=CC(C1C(=O)O)C2

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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 C25H21NO5S MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21NO5S/c1-31-25(30)21-18(15-7-6-13-4-2-3-5-14(13)10-15)12-32-23(21)26-22(27)19-16-8-9-17(11-16)20(19)24(28)29/h2-10,12,16-17,19-20H,11H2,1H3,(H,26,27)(H,28,29)
InChIKey
UKFUSVVOLJNPEO-UHFFFAOYSA-N
Synonyms

2((3methoxycarbonyl4naphthalen2ylthiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3(methoxycarbonyl)4(naphthalen2yl)thiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(3(METHOXYCARBONYL)4(2NAPHTHYL)2THIENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
COC(=O)C1=C(SC=C1C2=CC3=CC=CC=C3C=C2)NC(=O)C4C5CC(C4C(=O)O)C=C5
InChI=1SC25H21NO5Sc13125(30)2118(157613423514(13)1015)123223(21)2622(27)19168917(1116)20(19)24(28)29h2101216171920H11H21H3(H2627)(H2829)
MFCD06186222
ZINC000102329326
ZINC000239222122

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Available files

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