Vitas-M small molecule compound
methyl 3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitrobenzoate
Catalog ID
STK017228
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1nnc(s1)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 C12H10N4O5S MW 322.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10N4O5S/c1-6-14-15-12(22-6)13-10(17)7-3-8(11(18)21-2)5-9(4-7)16(19)20/h3-5H,1-2H3,(H,13,15,17)InChIKey
LWBOHFXDODKXIC-UHFFFAOYSA-NSynonyms
349439-81-2349439812
CC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1nnc(s1)C
InChI=1SC12H10N4O5Sc16141512(226)1310(17)738(11(18)212)59(47)16(19)20h35H12H3(H131517)
METHYL3((5METHYL134THIADIAZOL2YL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(5METHYL(134THIADIAZOL2YL))CARBAMOYL)3NITROBENZOATE
MFCD02862218
STK017228
ZINC000005712772
ZINC05712772
ZINC5712772
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