Vitas-M small molecule compound

diethyl 2-{[(2-methoxy-4-nitrophenyl)carbamothioyl]amino}benzene-1,4-dicarboxylate

Catalog ID
STK455840
SMILES CCOC(=O)c1ccc(cc1NC(=S)Nc1ccc(cc1OC)[N+](=O)[O-])C(=O)OCC

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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 C20H21N3O7S MW 447.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O7S/c1-4-29-18(24)12-6-8-14(19(25)30-5-2)16(10-12)22-20(31)21-15-9-7-13(23(26)27)11-17(15)28-3/h6-11H,4-5H2,1-3H3,(H2,21,22,31)
InChIKey
BHYAPMHXMSCJNS-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NC2=C(C=C(C=C2)(N+)(=O)(O))OC
CCOC(=O)c1ccc(cc1NC(=S)Nc1ccc(cc1OC)(N+)(=O)(O))C(=O)OCC
DIETHYL2((((2METHOXY4NITROPHENYL)AMINO)CARBONOTHIOYL)AMINO)TEREPHTHALATE
diethyl2(((2methoxy4nitrophenyl)carbamothioyl)amino)benzene14dicarboxylate
DIETHYL2((2METHOXY4NITROPHENYL)CARBAMOTHIOYLAMINO)BENZENE14DICARBOXYLATE
ETHYL4(ETHOXYCARBONYL)3((((2METHOXY4NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)BENZOATE
InChI=1SC20H21N3O7Sc142918(24)126814(19(25)3052)16(1012)2220(31)21159713(23(26)27)1117(15)283h611H45H213H3(H2212231)
MFCD04227414
ZINC000013153198
ZINC13153198

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Available files

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