Vitas-M small molecule compound
(2E)-3-(2-chlorophenyl)-N-{[4-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioyl}prop-2-enamide
Catalog ID
STL065826
SMILES S=C(Nc1ccc(cc1)OCC1CCCO1)NC(=O)/C=C/c1ccccc1Cl
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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 C21H21ClN2O3S MW 416.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O3S/c22-19-6-2-1-4-15(19)7-12-20(25)24-21(28)23-16-8-10-17(11-9-16)27-14-18-5-3-13-26-18/h1-2,4,6-12,18H,3,5,13-14H2,(H2,23,24,25,28)/b12-7+InChIKey
QIIQPACFZXAZGG-KPKJPENVSA-NSynonyms
(2E)3(2chlorophenyl)N((4(tetrahydrofuran2ylmethoxy)phenyl)carbamothioyl)prop2enamide
(E)3(2CHLOROPHENYL)N((4(OXOLAN2YLMETHOXY)PHENYL)CARBAMOTHIOYL)PROP2ENAMIDE
C1CC(OC1)COC2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3Cl
InChI=1SC21H21ClN2O3Sc2219621415(19)71220(25)2421(28)231681017(11916)27141853132618h12461218H351314H2(H223242528)b127+
MFCD07159657
N(3(2CHLOROPHENYL)ACRYLOYL)N(4(TETRAHYDRO2FURANYLMETHOXY)PHENYL)THIOUREA
S=C(Nc1ccc(cc1)OCC1CCCO1)NC(=O)C=Cc1ccccc1Cl
ZINC000007446971
ZINC000007446980
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