Vitas-M small molecule compound
dipropan-2-yl 5-{[(4-nitrophenyl)carbamothioyl]amino}benzene-1,3-dicarboxylate
Catalog ID
STK455723
SMILES CC(OC(=O)c1cc(NC(=S)Nc2ccc(cc2)[N+](=O)[O-])cc(c1)C(=O)OC(C)C)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 C21H23N3O6S MW 445.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O6S/c1-12(2)29-19(25)14-9-15(20(26)30-13(3)4)11-17(10-14)23-21(31)22-16-5-7-18(8-6-16)24(27)28/h5-13H,1-4H3,(H2,22,23,31)InChIKey
YZNDZVVUHYQNAP-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)(N+)(=O)(O))C(=O)OC(C)C
CC(OC(=O)c1cc(NC(=S)Nc2ccc(cc2)(N+)(=O)(O))cc(c1)C(=O)OC(C)C)C
DIISOPROPYL5((((4NITROPHENYL)AMINO)CARBONOTHIOYL)AMINO)ISOPHTHALATE
dipropan2yl5(((4nitrophenyl)carbamothioyl)amino)benzene13dicarboxylate
DIPROPAN2YL5((4NITROPHENYL)CARBAMOTHIOYLAMINO)BENZENE13DICARBOXYLATE
InChI=1SC21H23N3O6Sc112(2)2919(25)14915(20(26)3013(3)4)1117(1014)2321(31)22165718(8616)24(27)28h513H14H3(H2222331)
METHYLETHYL3((METHYLETHYL)OXYCARBONYL)5((((4NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)BENZOATE
MFCD04227412
ZINC000013153232
ZINC13153232
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