Vitas-M small molecule compound
methyl 2-({[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl}amino)benzoate
Catalog ID
STL063299
SMILES COC(=O)c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(c(c1)OC)OC
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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 C20H20N2O5S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O5S/c1-25-16-10-8-13(12-17(16)26-2)9-11-18(23)22-20(28)21-15-7-5-4-6-14(15)19(24)27-3/h4-12H,1-3H3,(H2,21,22,23,28)/b11-9+InChIKey
KNKIMAAQFIOBGD-PKNBQFBNSA-NSynonyms
COC(=O)c1ccccc1NC(=S)NC(=O)C=Cc1ccc(c(c1)OC)OC
COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)OC)OC
InChI=1SC20H20N2O5Sc1251610813(1217(16)262)91118(23)2220(28)2115754614(15)19(24)273h412H13H3(H221222328)b119+
methyl2((((2E)3(34dimethoxyphenyl)prop2enoyl)carbamothioyl)amino)benzoate
METHYL2((((3(34DIMETHOXYPHENYL)ACRYLOYL)AMINO)CARBOTHIOYL)AMINO)BENZOATE
METHYL2(((E)3(34DIMETHOXYPHENYL)PROP2ENOYL)CARBAMOTHIOYLAMINO)BENZOATE
MFCD05655268
ZINC000004621647
ZINC04621647
ZINC4621647
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