Vitas-M small molecule compound
1-[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]propan-2-yl 4-bromobenzoate
Catalog ID
STL287249
SMILES CC(OC(=O)c1ccc(cc1)Br)CN1CCN(CC1)C1=NS(=O)(=O)c2c1cccc2
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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 C21H22BrN3O4S MW 492.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN3O4S/c1-15(29-21(26)16-6-8-17(22)9-7-16)14-24-10-12-25(13-11-24)20-18-4-2-3-5-19(18)30(27,28)23-20/h2-9,15H,10-14H2,1H3InChIKey
NCVACKLFLZOJSH-UHFFFAOYSA-NSynonyms
1(4(11dioxido12benzothiazol3yl)piperazin1yl)propan2yl4bromobenzoate
1(4(11dioxo12benzothiazol3yl)piperazin1yl)propan2yl4bromobenzoate
CC(CN1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)Br
InChI=1SC21H22BrN3O4Sc115(2921(26)166817(22)9716)1424101225(131124)2018423519(18)30(2728)2320h2915H1014H21H3
MFCD02039694
ZINC000059453806
ZINC000059453807
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