Vitas-M small molecule compound
methyl 3-[(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]-5-nitrobenzoate
Catalog ID
STK158952
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1sc2c(n1)CC(CC2=O)(C)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 C18H17N3O6S MW 403.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O6S/c1-18(2)7-12-14(13(22)8-18)28-17(19-12)20-15(23)9-4-10(16(24)27-3)6-11(5-9)21(25)26/h4-6H,7-8H2,1-3H3,(H,19,20,23)InChIKey
HPXGIJUQEVPLII-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))C(=O)OC)C
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1sc2c(n1)CC(CC2=O)(C)C
InChI=1SC18H17N3O6Sc118(2)71214(13(22)818)2817(1912)2015(23)9410(16(24)273)611(59)21(25)26h46H78H213H3(H192023)
methyl3((55dimethyl7oxo4567tetrahydro13benzothiazol2yl)carbamoyl)5nitrobenzoate
METHYL3((55DIMETHYL7OXO46DIHYDRO13BENZOTHIAZOL2YL)CARBAMOYL)5NITROBENZOATE
MFCD03639898
ZINC000004696266
ZINC04696266
ZINC4696266
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