Vitas-M small molecule compound
methyl 3-{[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-5-nitrobenzoate
Catalog ID
STK158650
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1nnc(s1)CC(C)(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 C16H18N4O5S MW 378.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O5S/c1-16(2,3)8-12-18-19-15(26-12)17-13(21)9-5-10(14(22)25-4)7-11(6-9)20(23)24/h5-7H,8H2,1-4H3,(H,17,19,21)InChIKey
CJEMVAAEQWZJFG-UHFFFAOYSA-NSynonyms
690967-96-5690967965
CC(C)(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)C
InChI=1SC16H18N4O5Sc116(23)812181915(2612)1713(21)9510(14(22)254)711(69)20(23)24h57H8H214H3(H171921)
METHYL3(((5(22DIMETHYLPROPYL)134THIADIAZOL2YL)AMINO)CARBONYL)5NITROBENZOATE
METHYL3((5(22DIMETHYLPROPYL)134THIADIAZOL2YL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(5(22DIMETHYLPROPYL)(134THIADIAZOL2YL))CARBAMOYL)3NITROBENZOATE
MFCD05984918
ZINC000002821368
ZINC02821368
ZINC2821368
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