Vitas-M small molecule compound
ethyl 2-({[2-(4-benzylpiperazin-1-yl)-5-nitrophenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK526533
SMILES CCOC(=O)c1c(NC(=O)c2cc(ccc2N2CCN(CC2)Cc2ccccc2)[N+](=O)[O-])sc2c1CCCC2
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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 C29H32N4O5S MW 548.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O5S/c1-2-38-29(35)26-22-10-6-7-11-25(22)39-28(26)30-27(34)23-18-21(33(36)37)12-13-24(23)32-16-14-31(15-17-32)19-20-8-4-3-5-9-20/h3-5,8-9,12-13,18H,2,6-7,10-11,14-17,19H2,1H3,(H,30,34)InChIKey
MCHMCUJNESZUOB-UHFFFAOYSA-NSynonyms
313699-26-2313699262
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)(N+)(=O)(O))N4CCN(CC4)CC5=CC=CC=C5
CCOC(=O)c1c(NC(=O)c2cc(ccc2N2CCN(CC2)Cc2ccccc2)(N+)(=O)(O))sc2c1CCCC2
ethyl2(((2(4benzylpiperazin1yl)5nitrophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(4benzylpiperazin1yl)5nitrobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2(4benzylpiperazin1yl)5nitrobenzamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC29H32N4O5Sc123829(35)262210671125(22)3928(26)3027(34)231821(33(36)37)121324(23)32161431(151732)19208435920h3589121318H2671011141719H21H3(H3034)
MFCD01829826
ZINC000059706528
ZINC59706528
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