Vitas-M small molecule compound
methyl 3-{[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-5-nitrobenzoate
Catalog ID
STK118052
SMILES COCc1nnc(s1)NC(=O)c1cc(cc(c1)C(=O)OC)[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 C13H12N4O6S MW 352.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N4O6S/c1-22-6-10-15-16-13(24-10)14-11(18)7-3-8(12(19)23-2)5-9(4-7)17(20)21/h3-5H,6H2,1-2H3,(H,14,16,18)InChIKey
DHLZHROBEUDGOG-UHFFFAOYSA-NSynonyms
669704-79-4669704794
COCC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC
COCc1nnc(s1)NC(=O)c1cc(cc(c1)C(=O)OC)(N+)(=O)(O)
InChI=1SC13H12N4O6Sc122610151613(2410)1411(18)738(12(19)232)59(47)17(20)21h35H6H212H3(H141618)
METHYL3(((5(METHOXYMETHYL)134THIADIAZOL2YL)AMINO)CARBONYL)5NITROBENZOATE
METHYL3((5(METHOXYMETHYL)134THIADIAZOL2YL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(5(METHOXYMETHYL)(134THIADIAZOL2YL))CARBAMOYL)3NITROBENZOATE
MFCD04209140
ZINC000002484438
ZINC02484438
ZINC2484438
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