Vitas-M small molecule compound

methyl 3-{[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-5-nitrobenzoate

Catalog ID
STK072212
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1nnc(s1)CC(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 C15H16N4O5S MW 364.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N4O5S/c1-8(2)4-12-17-18-15(25-12)16-13(20)9-5-10(14(21)24-3)7-11(6-9)19(22)23/h5-8H,4H2,1-3H3,(H,16,18,20)
InChIKey
AGDDRJOVEWEYPU-UHFFFAOYSA-N
Synonyms
590399-02-3
590399023
CC(C)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)CC(C)C
InChI=1SC15H16N4O5Sc18(2)412171815(2512)1613(20)9510(14(21)243)711(69)19(22)23h58H4H213H3(H161820)
METHYL3((5(2METHYLPROPYL)134THIADIAZOL2YL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(5(2METHYLPROPYL)(134THIADIAZOL2YL))CARBAMOYL)3NITROBENZOATE
MFCD03351869
STK072212
ZINC000002642125
ZINC02642125
ZINC2642125

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.