Vitas-M small molecule compound
ethyl 2-{[(2-chloro-5-nitrophenyl)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK444883
SMILES CCOC(=O)c1c(NC(=O)c2cc(ccc2Cl)[N+](=O)[O-])sc2c1CCC(C2)CC
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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 C20H21ClN2O5S MW 436.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN2O5S/c1-3-11-5-7-13-16(9-11)29-19(17(13)20(25)28-4-2)22-18(24)14-10-12(23(26)27)6-8-15(14)21/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,22,24)InChIKey
CJBNLGBOAUHUJN-UHFFFAOYSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=C(C=CC(=C3)(N+)(=O)(O))Cl
CCOC(=O)c1c(NC(=O)c2cc(ccc2Cl)(N+)(=O)(O))sc2c1CCC(C2)CC
ethyl2(((2chloro5nitrophenyl)carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2chloro5nitrobenzoyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H21ClN2O5Sc1311571316(911)2919(17(13)20(25)2842)2218(24)141012(23(26)27)6815(14)21h681011H3579H212H3(H2224)
MFCD01338453
ZINC000002922393
ZINC000002922395
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