Vitas-M small molecule compound
3-({3-[(propan-2-yloxy)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STL174804
SMILES CC(OC(=O)c1c(NC(=O)C2C3C=CC(C2C(=O)O)C3)sc2c1CCCC2)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 C21H25NO5S MW 403.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO5S/c1-10(2)27-21(26)17-13-5-3-4-6-14(13)28-19(17)22-18(23)15-11-7-8-12(9-11)16(15)20(24)25/h7-8,10-12,15-16H,3-6,9H2,1-2H3,(H,22,23)(H,24,25)InChIKey
GIEMGXFJMDURAZ-UHFFFAOYSA-NSynonyms
1022109-93-81022109938
2((3propan2yloxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3((propan2yloxy)carbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3C4CC(C3C(=O)O)C=C4
InChI=1SC21H25NO5Sc110(2)2721(26)1713534614(13)2819(17)2218(23)15117812(911)16(15)20(24)25h7810121516H369H212H3(H2223)(H2425)
MFCD03380436
ZINC000101940846
ZINC000245239195
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