Vitas-M small molecule compound

3-({[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioyl}amino)-4-methoxybenzoic acid

Catalog ID
STK105430
SMILES COc1ccc(cc1NC(=S)NC(=O)/C=C/c1ccc(cc1Cl)Cl)C(=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 C18H14Cl2N2O4S MW 425.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14Cl2N2O4S/c1-26-15-6-3-11(17(24)25)8-14(15)21-18(27)22-16(23)7-4-10-2-5-12(19)9-13(10)20/h2-9H,1H3,(H,24,25)(H2,21,22,23,27)/b7-4+
InChIKey
TXMQHBYXNOLTJX-QPJJXVBHSA-N
Synonyms
530132-61-7
(E)3(3(3(24dichlorophenyl)acryloyl)thioureido)4methoxybenzoicacid
3((((2E)3(24DICHLOROPHENYL)PROP2ENOYL)CARBAMOTHIOYL)AMINO)4METHOXYBENZOICACID
3(((E)3(24DICHLOROPHENYL)PROP2ENOYL)CARBAMOTHIOYLAMINO)4METHOXYBENZOICACID
530132617
COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C=CC2=C(C=C(C=C2)Cl)Cl
COc1ccc(cc1NC(=S)NC(=O)C=Cc1ccc(cc1Cl)Cl)C(=O)O
InChI=1SC18H14Cl2N2O4Sc126156311(17(24)25)814(15)2118(27)2216(23)74102512(19)913(10)20h29H1H3(H2425)(H221222327)b74+
MFCD03564006
ZINC000001159429
ZINC1159429

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Available files

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