Vitas-M small molecule compound
4-azido-2-benzyl-6-nitro-1,2-benzothiazol-3(2H)-one 1-oxide
Catalog ID
STK677767
SMILES [N-]=[N+]=Nc1cc(cc2c1c(=O)n(s2=O)Cc1ccccc1)[N+](=O)[O-]
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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 C14H9N5O4S MW 343.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H9N5O4S/c15-17-16-11-6-10(19(21)22)7-12-13(11)14(20)18(24(12)23)8-9-4-2-1-3-5-9/h1-7H,8H2InChIKey
VTERQTXNYMKNAR-UHFFFAOYSA-NSynonyms
(N)=(N+)=Nc1cc(cc2c1c(=O)n(s2=O)Cc1ccccc1)(N+)(=O)(O)
4azido2benzyl6nitro12benzothiazol3(2H)one1oxide
4AZIDO2BENZYL6NITRO1OXO12BENZOTHIAZOL3ONE
4AZIDO2BENZYL6NITRO1OXO12DIHYDROBENZO(D)ISOTHIAZOL3ONE
C1=CC=C(C=C1)CN2C(=O)C3=C(S2=O)C=C(C=C3N=(N+)=(N))(N+)(=O)(O)
InChI=1SC14H9N5O4Sc15171611610(19(21)22)71213(11)14(20)18(24(12)23)89421359h17H8H2
MFCD02934718
ZINC000245257019
ZINC000245257021
ZINC15240291
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