Vitas-M small molecule compound
ethyl 2-{[(2-chloro-5-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK873825
SMILES CCOC(=O)c1c(NC(=O)c2cc(ccc2Cl)[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 C18H17ClN2O5S MW 408.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN2O5S/c1-2-26-18(23)15-11-5-3-4-6-14(11)27-17(15)20-16(22)12-9-10(21(24)25)7-8-13(12)19/h7-9H,2-6H2,1H3,(H,20,22)InChIKey
DEYAMPVZZQQXFD-UHFFFAOYSA-NSynonyms
313233-80-6313233806
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)(N+)(=O)(O))Cl
CCOC(=O)c1c(NC(=O)c2cc(ccc2Cl)(N+)(=O)(O))sc2c1CCCC2
ethyl2(((2chloro5nitrophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2chloro5nitrobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2chloro5nitrobenzamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC18H17ClN2O5Sc122618(23)1511534614(11)2717(15)2016(22)12910(21(24)25)7813(12)19h79H26H21H3(H2022)
MFCD01077698
ZINC000004713592
ZINC04713592
ZINC4713592
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