Vitas-M small molecule compound
2-phenylethyl 4-{[(4-chloro-3-nitrophenyl)carbamothioyl]amino}-4-oxobutanoate
Catalog ID
STL064965
SMILES O=C(NC(=S)Nc1ccc(c(c1)[N+](=O)[O-])Cl)CCC(=O)OCCc1ccccc1
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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 C19H18ClN3O5S MW 435.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN3O5S/c20-15-7-6-14(12-16(15)23(26)27)21-19(29)22-17(24)8-9-18(25)28-11-10-13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H2,21,22,24,29)InChIKey
QEXMPYUXGRNKAP-UHFFFAOYSA-NSynonyms
2phenylethyl4(((4chloro3nitrophenyl)carbamothioyl)amino)4oxobutanoate
2phenylethyl4((4chloro3nitrophenyl)carbamothioylamino)4oxobutanoate
C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC(=C(C=C2)Cl)(N+)(=O)(O)
InChI=1SC19H18ClN3O5Sc20157614(1216(15)23(26)27)2119(29)2217(24)8918(25)281110134213513h1712H811H2(H221222429)
MFCD05880155
O=C(NC(=S)Nc1ccc(c(c1)(N+)(=O)(O))Cl)CCC(=O)OCCc1ccccc1
PHENETHYL4((4CHLORO3NITROPHENYL)CARBAMOTHIOYLAMINO)4OXOBUTANOATE
ZINC000012137246
ZINC12137246
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