Vitas-M small molecule compound
methyl 2-{[(4-methyl-3,5-dinitrophenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK444510
SMILES COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])c(c(c2)[N+](=O)[O-])C)sc2c1CCCCCC2
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 C20H21N3O7S MW 447.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O7S/c1-11-14(22(26)27)9-12(10-15(11)23(28)29)18(24)21-19-17(20(25)30-2)13-7-5-3-4-6-8-16(13)31-19/h9-10H,3-8H2,1-2H3,(H,21,24)InChIKey
QKDLKTSMQNDDFO-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1(N+)(=O)(O))C(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC)(N+)(=O)(O)
COC(=O)c1c(NC(=O)c2cc((N+)(=O)(O))c(c(c2)(N+)(=O)(O))C)sc2c1CCCCCC2
InChI=1SC20H21N3O7Sc11114(22(26)27)912(1015(11)23(28)29)18(24)211917(20(25)302)1375346816(13)3119h910H38H212H3(H2124)
methyl2(((4methyl35dinitrophenyl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((4methyl35dinitrobenzoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD01341069
ZINC000019645839
ZINC19645839
Check stock
See real-time availability and sample size for STK444510 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.