Vitas-M small molecule compound
{4-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]phenoxy}acetic acid
Catalog ID
STK728500
SMILES N#C/C(=C\c1ccc(cc1)OCC(=O)O)/C(=S)N
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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 C12H10N2O3S MW 262.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10N2O3S/c13-6-9(12(14)18)5-8-1-3-10(4-2-8)17-7-11(15)16/h1-5H,7H2,(H2,14,18)(H,15,16)/b9-5+InChIKey
OKBLZRITSCPMAZ-WEVVVXLNSA-NSynonyms
836661-86-0(4((1E)3amino2cyano3thioxoprop1en1yl)phenoxy)aceticacid
(E)2(4(3amino2cyano3thioxoprop1en1yl)phenoxy)aceticacid
2(4((E)3AMINO2CYANO3SULFANYLIDENEPROP1ENYL)PHENOXY)ACETICACID
836661860
C1=CC(=CC=C1C=C(C#N)C(=S)N)OCC(=O)O
InChI=1SC12H10N2O3Sc1369(12(14)18)581310(428)17711(15)16h15H7H2(H21418)(H1516)b95+
MFCD06007976
N#CC(=Cc1ccc(cc1)OCC(=O)O)C(=S)N
ZINC000001068949
ZINC1068949
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