Vitas-M small molecule compound
methyl 3-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]-5-nitrobenzoate
Catalog ID
STK204180
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1nc2c(s1)cccc2C
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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 C17H13N3O5S MW 371.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O5S/c1-9-4-3-5-13-14(9)18-17(26-13)19-15(21)10-6-11(16(22)25-2)8-12(7-10)20(23)24/h3-8H,1-2H3,(H,18,19,21)InChIKey
GAXYYOOFJGMPOJ-UHFFFAOYSA-NSynonyms
827616-68-2827616682
CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1nc2c(s1)cccc2C
InChI=1SC17H13N3O5Sc194351314(9)1817(2613)1915(21)10611(16(22)252)812(710)20(23)24h38H12H3(H181921)
METHYL3((4METHYL13BENZOTHIAZOL2YL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(4METHYLBENZOTHIAZOL2YL)CARBAMOYL)3NITROBENZOATE
MFCD04805081
ZINC000003558920
ZINC03558920
ZINC3558920
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