Vitas-M small molecule compound
propyl 2-{[(4-nitrophenyl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Catalog ID
STK425107
SMILES CCCOC(=O)c1c(NC(=O)c2ccc(cc2)[N+](=O)[O-])sc2c1CCCCCCCCCC2
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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 C25H32N2O5S MW 472.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2O5S/c1-2-17-32-25(29)22-20-11-9-7-5-3-4-6-8-10-12-21(20)33-24(22)26-23(28)18-13-15-19(16-14-18)27(30)31/h13-16H,2-12,17H2,1H3,(H,26,28)InChIKey
AOVPBHRWEIMTQF-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
CCCOC(=O)c1c(NC(=O)c2ccc(cc2)(N+)(=O)(O))sc2c1CCCCCCCCCC2
InChI=1SC25H32N2O5Sc12173225(29)2220119753468101221(20)3324(22)2623(28)18131519(161418)27(30)31h1316H21217H21H3(H2628)
MFCD02375262
propyl2(((4nitrophenyl)carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
propyl2((4nitrobenzoyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
ZINC000002759837
ZINC02759837
ZINC2759837
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