Vitas-M small molecule compound
1,3-dichloropropan-2-yl 3-(1,3-benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
Catalog ID
STK926823
SMILES ClCC(OC(=O)C1C2C=CC(C1C(=O)Nc1nc3c(s1)cccc3)C2)CCl
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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 C19H18Cl2N2O3S MW 425.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18Cl2N2O3S/c20-8-12(9-21)26-18(25)16-11-6-5-10(7-11)15(16)17(24)23-19-22-13-3-1-2-4-14(13)27-19/h1-6,10-12,15-16H,7-9H2,(H,22,23,24)InChIKey
AEOWODMAAPJXJN-UHFFFAOYSA-NSynonyms
13dichloropropan2yl2(13benzothiazol2ylcarbamoyl)bicyclo(221)hept5ene3carboxylate
13dichloropropan2yl3(13benzothiazol2ylcarbamoyl)bicyclo(221)hept5ene2carboxylate
C1C2C=CC1C(C2C(=O)NC3=NC4=CC=CC=C4S3)C(=O)OC(CCl)CCl
InChI=1SC19H18Cl2N2O3Sc20812(921)2618(25)16116510(711)15(16)17(24)23192213312414(13)2719h1610121516H79H2(H222324)
MFCD01973041
ZINC000102815788
ZINC000252427626
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