Vitas-M small molecule compound
N-(benzylcarbamothioyl)aspartic acid
Catalog ID
STK021578
SMILES S=C(NC(C(=O)O)CC(=O)O)NCc1ccccc1
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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 C12H14N2O4S MW 282.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N2O4S/c15-10(16)6-9(11(17)18)14-12(19)13-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,15,16)(H,17,18)(H2,13,14,19)InChIKey
XCKYOHLCMKRVFU-UHFFFAOYSA-NSynonyms
134124-46-2134124462
2(3BENZYLTHIOUREIDO)SUCCINICACID
2(BENZYLCARBAMOTHIOYLAMINO)BUTANEDIOICACID
C1=CC=C(C=C1)CNC(=S)NC(CC(=O)O)C(=O)O
InChI=1SC12H14N2O4Sc1510(16)69(11(17)18)1412(19)1378421358h159H67H2(H1516)(H1718)(H2131419)
MFCD02043250
N(BENZYLCARBAMOTHIOYL)ASPARTICACID
S=C(NC(C(=O)O)CC(=O)O)NCc1ccccc1
STK021578
ZINC000008772954
ZINC000008772955
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