Vitas-M small molecule compound

methyl 2-{[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]amino}-4-(naphthalen-2-yl)thiophene-3-carboxylate

Catalog ID
STK451902
SMILES COC(=O)c1c(scc1c1ccc2c(c1)cccc2)NC(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-]

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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 C25H15ClN2O5S2 MW 522.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H15ClN2O5S2/c1-33-25(30)20-18(15-7-6-13-4-2-3-5-14(13)10-15)12-34-24(20)27-23(29)22-21(26)17-9-8-16(28(31)32)11-19(17)35-22/h2-12H,1H3,(H,27,29)
InChIKey
RTOXRKQTVJRYIS-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC=C1C2=CC3=CC=CC=C3C=C2)NC(=O)C4=C(C5=C(S4)C=C(C=C5)(N+)(=O)(O))Cl
COC(=O)c1c(scc1c1ccc2c(c1)cccc2)NC(=O)c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O)
InChI=1SC25H15ClN2O5S2c13325(30)2018(157613423514(13)1015)123424(20)2723(29)2221(26)179816(28(31)32)1119(17)3522h212H1H3(H2729)
METHYL2(((3CHLORO6NITRO1BENZOTHIEN2YL)CARBONYL)AMINO)4(2NAPHTHYL)3THIOPHENECARBOXYLATE
methyl2(((3chloro6nitro1benzothiophen2yl)carbonyl)amino)4(naphthalen2yl)thiophene3carboxylate
METHYL2((3CHLORO6NITRO1BENZOTHIOPHENE2CARBONYL)AMINO)4NAPHTHALEN2YLTHIOPHENE3CARBOXYLATE
METHYL2((3CHLORO6NITROBENZO(B)THIOPHEN2YL)CARBONYLAMINO)4(2NAPHTHYL)THIOPHENE3CARBOXYLATE
MFCD03759455
ZINC000002773885
ZINC02773885
ZINC2773885

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.