Vitas-M small molecule compound
7-nitro-3-(phenylcarbonyl)-1,3,4-benzothiadiazepin-2(3H)-one
Catalog ID
STK773567
SMILES O=C1Sc2ccc(cc2C=NN1C(=O)c1ccccc1)[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 C15H9N3O4S MW 327.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H9N3O4S/c19-14(10-4-2-1-3-5-10)17-15(20)23-13-7-6-12(18(21)22)8-11(13)9-16-17/h1-9HInChIKey
PJWIPVJWGXWOJI-UHFFFAOYSA-NSynonyms
3BENZOYL7NITRO134BENZOTHIADIAZEPIN2ONE
7nitro3(phenylcarbonyl)134benzothiadiazepin2(3H)one
7NITRO3(PHENYLCARBONYL)BENZO(F)134THIADIAZEPIN2ONE
C1=CC=C(C=C1)C(=O)N2C(=O)SC3=C(C=C(C=C3)(N+)(=O)(O))C=N2
InChI=1SC15H9N3O4Sc1914(104213510)1715(20)23137612(18(21)22)811(13)91617h19H
MFCD03855107
O=C1Sc2ccc(cc2C=NN1C(=O)c1ccccc1)(N+)(=O)(O)
ZINC000000110647
ZINC00110647
ZINC110647
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