Vitas-M small molecule compound
4-methoxy-3-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK102868
SMILES COc1ccc(cc1NC(=S)NC(=O)/C=C/c1ccccc1)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 C18H16N2O4S MW 356.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O4S/c1-24-15-9-8-13(17(22)23)11-14(15)19-18(25)20-16(21)10-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,22,23)(H2,19,20,21,25)/b10-7+InChIKey
UYUBLBJIJZMCAU-JXMROGBWSA-NSynonyms
434308-28-8(E)3(3cinnamoylthioureido)4methoxybenzoicacid
434308288
4METHOXY3((((2E)3PHENYLPROP2ENOYL)CARBAMOTHIOYL)AMINO)BENZOICACID
4METHOXY3(((E)3PHENYLPROP2ENOYL)CARBAMOTHIOYLAMINO)BENZOICACID
COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C=CC2=CC=CC=C2
COc1ccc(cc1NC(=S)NC(=O)C=Cc1ccccc1)C(=O)O
InChI=1SC18H16N2O4Sc124159813(17(22)23)1114(15)1918(25)2016(21)107125324612h211H1H3(H2223)(H219202125)b107+
MFCD03566486
ZINC000001159546
ZINC1159546
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