Vitas-M small molecule compound
2-chloroprop-2-en-1-yl 3-(1H-benzotriazol-1-ylcarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
Catalog ID
STK676287
SMILES ClC(=C)COC(=O)C1C2C=CC(C1C(=O)n1nnc3c1cccc3)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 C18H16ClN3O3 MW 357.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN3O3/c1-10(19)9-25-18(24)16-12-7-6-11(8-12)15(16)17(23)22-14-5-3-2-4-13(14)20-21-22/h2-7,11-12,15-16H,1,8-9H2InChIKey
WWKVRJPSDCXLQD-UHFFFAOYSA-NSynonyms
2chloroprop2en1yl3(1Hbenzotriazol1ylcarbonyl)bicyclo(221)hept5ene2carboxylate
2CHLOROPROP2ENYL2(BENZOTRIAZOLE1CARBONYL)BICYCLO(221)HEPT5ENE3CARBOXYLATE
2CHLOROPROP2ENYL3(BENZOTRIAZOLYLCARBONYL)BICYCLO(221)HEPT5ENE2CARBOXYLATE
C=C(COC(=O)C1C2CC(C1C(=O)N3C4=CC=CC=C4N=N3)C=C2)Cl
InChI=1SC18H16ClN3O3c110(19)92518(24)16127611(812)15(16)17(23)2214532413(14)202122h2711121516H189H2
MFCD01872932
ZINC000100088415
ZINC000252430977
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