Vitas-M small molecule compound
methyl 3-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-5-nitrobenzoate
Catalog ID
STK051097
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1sc2c(n1)ccc(c2)C
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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/c1-9-3-4-13-14(5-9)26-17(18-13)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
VUMZYIAQZOBHMZ-UHFFFAOYSA-NSynonyms
349439-89-0349439890
CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1sc2c(n1)ccc(c2)C
InChI=1SC17H13N3O5Sc19341314(59)2617(1813)1915(21)10611(16(22)252)812(710)20(23)24h38H12H3(H181921)
METHYL3((6METHYL13BENZOTHIAZOL2YL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(6METHYLBENZOTHIAZOL2YL)CARBAMOYL)3NITROBENZOATE
MFCD02862223
STK051097
ZINC000001180660
ZINC01180660
ZINC1180660
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