Vitas-M small molecule compound
methyl 3-nitro-5-{[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}benzoate
Catalog ID
STK127257
SMILES CCC(c1nnc(s1)NC(=O)c1cc(cc(c1)C(=O)OC)[N+](=O)[O-])CC
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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/c1-4-9(5-2)14-18-19-16(26-14)17-13(21)10-6-11(15(22)25-3)8-12(7-10)20(23)24/h6-9H,4-5H2,1-3H3,(H,17,19,21)InChIKey
VBGVKRUKRLRNQA-UHFFFAOYSA-NSynonyms
600146-71-23((5(1ETHYLPROPYL)134THIADIAZOL2YL)CARBAMOYL)5NITROBENZOICACIDMETHYLESTER
3NITRO5(OXO((5PENTAN3YL134THIADIAZOL2YL)AMINO)METHYL)BENZOICACIDMETHYLESTER
600146712
CCC(c1nnc(s1)NC(=O)c1cc(cc(c1)C(=O)OC)(N+)(=O)(O))CC
CCC(CC)C1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC
InChI=1SC16H18N4O5Sc149(52)14181916(2614)1713(21)10611(15(22)253)812(710)20(23)24h69H45H213H3(H171921)
METHYL3(((5(1ETHYLPROPYL)134THIADIAZOL2YL)AMINO)CARBONYL)5NITROBENZOATE
METHYL3NITRO5((5(PENTAN3YL)134THIADIAZOL2YL)CARBAMOYL)BENZOATE
METHYL3NITRO5((5PENTAN3YL134THIADIAZOL2YL)CARBAMOYL)BENZOATE
METHYL5(N(5(ETHYLPROPYL)(134THIADIAZOL2YL))CARBAMOYL)3NITROBENZOATE
MFCD03929999
ZINC000002734879
ZINC02734879
ZINC2734879
Check stock
See real-time availability and sample size for STK127257 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.