Vitas-M small molecule compound
4-[(1E)-3-amino-2-cyano-3-thioxoprop-1-en-1-yl]phenyl 4-methoxybenzoate
Catalog ID
STK863014
SMILES COc1ccc(cc1)C(=O)Oc1ccc(cc1)/C=C(/C(=S)N)\C#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 C18H14N2O3S MW 338.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O3S/c1-22-15-8-4-13(5-9-15)18(21)23-16-6-2-12(3-7-16)10-14(11-19)17(20)24/h2-10H,1H3,(H2,20,24)/b14-10+InChIKey
DCCZBBQPJKEAOX-GXDHUFHOSA-NSynonyms
838810-76-7(4((E)3AMINO2CYANO3SULFANYLIDENEPROP1ENYL)PHENYL)4METHOXYBENZOATE
(E)4(3amino2cyano3thioxoprop1en1yl)phenyl4methoxybenzoate
4((1E)3amino2cyano3thioxoprop1en1yl)phenyl4methoxybenzoate
838810767
COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=S)N
COc1ccc(cc1)C(=O)Oc1ccc(cc1)C=C(C(=S)N)C#N
InChI=1SC18H14N2O3Sc122158413(5915)18(21)23166212(3716)1014(1119)17(20)24h210H1H3(H22024)b1410+
MFCD06632132
ZINC000002887420
ZINC02887420
ZINC2887420
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