Vitas-M small molecule compound

dimethyl 5-{[(4-chloro-3-nitrophenyl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate

Catalog ID
STK432514
SMILES COC(=O)c1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)sc(c1C)C(=O)OC

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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 C16H13ClN2O7S MW 412.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN2O7S/c1-7-11(15(21)25-2)14(27-12(7)16(22)26-3)18-13(20)8-4-5-9(17)10(6-8)19(23)24/h4-6H,1-3H3,(H,18,20)
InChIKey
UZJCJRPEVHKRSZ-UHFFFAOYSA-N
Synonyms

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=C(C=C2)Cl)(N+)(=O)(O))C(=O)OC
COC(=O)c1c(NC(=O)c2ccc(c(c2)(N+)(=O)(O))Cl)sc(c1C)C(=O)OC
dimethyl5(((4chloro3nitrophenyl)carbonyl)amino)3methylthiophene24dicarboxylate
DIMETHYL5((4CHLORO3NITROBENZOYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
InChI=1SC16H13ClN2O7Sc1711(15(21)252)14(2712(7)16(22)263)1813(20)8459(17)10(68)19(23)24h46H13H3(H1820)
METHYL2((4CHLORO3NITROPHENYL)CARBONYLAMINO)5(METHOXYCARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD02361234
ZINC000002746754
ZINC02746754
ZINC2746754

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Available files

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