Vitas-M small molecule compound
methyl 2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STL171326
SMILES COC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCCCCC2
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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 C20H22N2O6S MW 418.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O6S/c1-27-20(24)18-13-8-4-2-3-5-11-16(13)29-19(18)21-17(23)12-28-15-10-7-6-9-14(15)22(25)26/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,21,23)InChIKey
MQUARAONRFRIFW-UHFFFAOYSA-NSynonyms
438618-94-1438618941
COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)COC3=CC=CC=C3(N+)(=O)(O)
COC(=O)c1c(NC(=O)COc2ccccc2(N+)(=O)(O))sc2c1CCCCCC2
InChI=1SC20H22N2O6Sc12720(24)1813842351116(13)2919(18)2117(23)1228151076914(15)22(25)26h67910H2581112H21H3(H2123)
methyl2(((2nitrophenoxy)acetyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((2(2nitrophenoxy)acetyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD01920465
ZINC000000668755
ZINC00668755
ZINC668755
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