Vitas-M small molecule compound
3-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)-4-methylbenzoic acid
Catalog ID
STK062263
SMILES S=C(Nc1cc(ccc1C)C(=O)O)NC(=O)/C=C/c1ccco1
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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 C16H14N2O4S MW 330.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O4S/c1-10-4-5-11(15(20)21)9-13(10)17-16(23)18-14(19)7-6-12-3-2-8-22-12/h2-9H,1H3,(H,20,21)(H2,17,18,19,23)/b7-6+InChIKey
VRTGEWBBKXDKRF-VOTSOKGWSA-NSynonyms
433688-37-0(E)3(3(3(furan2yl)acryloyl)thioureido)4methylbenzoicacid
3((((2E)3(FURAN2YL)PROP2ENOYL)CARBAMOTHIOYL)AMINO)4METHYLBENZOICACID
3(((E)3(FURAN2YL)PROP2ENOYL)CARBAMOTHIOYLAMINO)4METHYLBENZOICACID
433688370
CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C=CC2=CC=CO2
InChI=1SC16H14N2O4Sc1104511(15(20)21)913(10)1716(23)1814(19)76123282212h29H1H3(H2021)(H217181923)b76+
MFCD03246597
S=C(Nc1cc(ccc1C)C(=O)O)NC(=O)C=Cc1ccco1
STK062263
ZINC000000309045
ZINC309045
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