Vitas-M small molecule compound
3-(1,3-benzothiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK418244
SMILES OC(=O)C1C2C=CC(C1C(=O)Nc1nc3c(s1)cccc3)O2
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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 C15H12N2O4S MW 316.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12N2O4S/c18-13(11-8-5-6-9(21-8)12(11)14(19)20)17-15-16-7-3-1-2-4-10(7)22-15/h1-6,8-9,11-12H,(H,19,20)(H,16,17,18)InChIKey
BBTOGGUGIGKYTH-UHFFFAOYSA-NSynonyms
491832-18-92(13BENZOTHIAZOL2YLCARBAMOYL)7OXABICYCLO(221)HEPT5ENE3CARBOXYLICACID
3(13benzothiazol2ylcarbamoyl)7oxabicyclo(221)hept5ene2carboxylicacid
491832189
C1=CC=C2C(=C1)N=C(S2)NC(=O)C3C4C=CC(C3C(=O)O)O4
InChI=1SC15H12N2O4Sc1813(118569(218)12(11)14(19)20)1715167312410(7)2215h16891112H(H1920)(H161718)
MFCD02242714
ZINC000225628397
ZINC000239275018
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