Vitas-M small molecule compound
dimethyl 5-{[(2-bromo-4,5-dimethylphenyl)carbamothioyl]carbamoyl}benzene-1,3-dicarboxylate
Catalog ID
STL378582
SMILES COC(=O)c1cc(cc(c1)C(=O)OC)C(=O)NC(=S)Nc1cc(C)c(cc1Br)C
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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 C20H19BrN2O5S MW 479.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN2O5S/c1-10-5-15(21)16(6-11(10)2)22-20(29)23-17(24)12-7-13(18(25)27-3)9-14(8-12)19(26)28-4/h5-9H,1-4H3,(H2,22,23,24,29)InChIKey
WSZGDIDTJKCXGZ-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1C)Br)NC(=S)NC(=O)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC
dimethyl5(((2bromo45dimethylphenyl)carbamothioyl)carbamoyl)benzene13dicarboxylate
DIMETHYL5((2BROMO45DIMETHYLPHENYL)CARBAMOTHIOYLCARBAMOYL)BENZENE13DICARBOXYLATE
InChI=1SC20H19BrN2O5Sc110515(21)16(611(10)2)2220(29)2317(24)12713(18(25)273)914(812)19(26)284h59H14H3(H222232429)
MFCD03719763
ZINC000001123384
ZINC01123384
ZINC1123384
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