Vitas-M small molecule compound

methyl 2-{[(2,4-dinitrophenyl)carbonyl]amino}-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate

Catalog ID
STK452472
SMILES COC(=O)c1c(NC(=O)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])sc(c1c1ccc(cc1)C)C

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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 C21H17N3O7S MW 455.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O7S/c1-11-4-6-13(7-5-11)17-12(2)32-20(18(17)21(26)31-3)22-19(25)15-9-8-14(23(27)28)10-16(15)24(29)30/h4-10H,1-3H3,(H,22,25)
InChIKey
KDYMQJZINYAVBW-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C
COC(=O)c1c(NC(=O)c2ccc(cc2(N+)(=O)(O))(N+)(=O)(O))sc(c1c1ccc(cc1)C)C
InChI=1SC21H17N3O7Sc1114613(7511)1712(2)3220(18(17)21(26)313)2219(25)159814(23(27)28)1016(15)24(29)30h410H13H3(H2225)
methyl2(((24dinitrophenyl)carbonyl)amino)5methyl4(4methylphenyl)thiophene3carboxylate
METHYL2((24BISNITROBENZOYL)AMINO)5METHYL4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
METHYL2((24DINITROBENZOYL)AMINO)5METHYL4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
METHYL2((24DINITROPHENYL)CARBONYLAMINO)5METHYL4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
MFCD02372647
ZINC000002101503
ZINC02101503
ZINC2101503

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Available files

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