Vitas-M small molecule compound
2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]ethyl 4-nitrobenzoate
Catalog ID
STK139431
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])OCCNC1=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 C16H13N3O6S MW 375.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O6S/c20-16(11-5-7-12(8-6-11)19(21)22)25-10-9-17-15-13-3-1-2-4-14(13)26(23,24)18-15/h1-8H,9-10H2,(H,17,18)InChIKey
YBOZWDAYAXUNGY-UHFFFAOYSA-NSynonyms
2((11DIOXIDO12BENZOTHIAZOL3YL)AMINO)ETHYL4NITROBENZOATE
2((11DIOXO12BENZOTHIAZOL3YL)AMINO)ETHYL4NITROBENZOATE
C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCOC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC16H13N3O6Sc2016(115712(8611)19(21)22)25109171513312414(13)26(2324)1815h18H910H2(H1718)
MFCD03110875
O=C(c1ccc(cc1)(N+)(=O)(O))OCCNC1=NS(=O)(=O)c2c1cccc2
ZINC000002995610
ZINC02995610
ZINC2995610
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