Vitas-M small molecule compound

ethyl 2-[({4-[3-(3-chlorophenoxy)-5-nitrophenoxy]phenyl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL170163
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2)Oc2cc(Oc3cccc(c3)Cl)cc(c2)[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 C30H25ClN2O7S MW 593.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25ClN2O7S/c1-2-38-30(35)27-25-8-3-4-9-26(25)41-29(27)32-28(34)18-10-12-21(13-11-18)39-23-15-20(33(36)37)16-24(17-23)40-22-7-5-6-19(31)14-22/h5-7,10-17H,2-4,8-9H2,1H3,(H,32,34)
InChIKey
MDYHBUOHVPBKKE-UHFFFAOYSA-N
Synonyms
362592-26-5
362592265
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)OC4=CC(=CC(=C4)(N+)(=O)(O))OC5=CC(=CC=C5)Cl
CCOC(=O)c1c(NC(=O)c2ccc(cc2)Oc2cc(Oc3cccc(c3)Cl)cc(c2)(N+)(=O)(O))sc2c1CCCC2
ethyl2(((4(3(3chlorophenoxy)5nitrophenoxy)phenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((4(3(3chlorophenoxy)5nitrophenoxy)benzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC30H25ClN2O7Sc123830(35)2725834926(25)4129(27)3228(34)18101221(131118)39231520(33(36)37)1624(1723)402275619(31)1422h571017H2489H21H3(H3234)
MFCD00304903
ZINC000002756698
ZINC2756698

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Available files

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