Vitas-M small molecule compound
2-methoxy-4-(piperidin-1-ylcarbonothioyl)phenyl 2,4-dinitrobenzoate
Catalog ID
STL382873
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=S)N1CCCCC1
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 C20H19N3O7S MW 445.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O7S/c1-29-18-11-13(19(31)21-9-3-2-4-10-21)5-8-17(18)30-20(24)15-7-6-14(22(25)26)12-16(15)23(27)28/h5-8,11-12H,2-4,9-10H2,1H3InChIKey
XUNKUEXQPFNDEL-UHFFFAOYSA-NSynonyms
(2METHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYL)24DINITROBENZOATE
24DINITROBENZOICACID2METHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYLESTER
2methoxy4(piperidin1ylcarbonothioyl)phenyl24dinitrobenzoate
COC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
COc1cc(ccc1OC(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C(=S)N1CCCCC1
InChI=1SC20H19N3O7Sc129181113(19(31)2193241021)5817(18)3020(24)157614(22(25)26)1216(15)23(27)28h581112H24910H21H3
MFCD01062209
ZINC000006906824
ZINC06906824
ZINC6906824
Check stock
See real-time availability and sample size for STL382873 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.