Vitas-M small molecule compound

(2Z)-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK847710
SMILES O=C1/C(=C/c2cccs2)/Oc2c1ccc(c2C[NH+]1CCCC1)[O-]

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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 C18H17NO3S MW 327.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO3S/c20-15-6-5-13-17(21)16(10-12-4-3-9-23-12)22-18(13)14(15)11-19-7-1-2-8-19/h3-6,9-10,20H,1-2,7-8,11H2/b16-10-
InChIKey
YBTFPXGOYPMCGW-YBEGLDIGSA-N
Synonyms
896069-58-2
(2Z)3oxo7(pyrrolidinium1ylmethyl)2(thiophen2ylmethylidene)23dihydro1benzofuran6olate
(2Z)6HYDROXY7(PYRROLIDIN1YLMETHYL)2(THIOPHEN2YLMETHYLIDENE)1BENZOFURAN3ONE
6HYDROXY7(PYRROLIDINYLMETHYL)2(2THIENYLMETHYLENE)BENZO(B)FURAN3ONE
896069582
C1CCN(C1)CC2=C(C=CC3=C2OC(=CC4=CC=CS4)C3=O)O
InChI=1SC18H17NO3Sc2015651317(21)16(10124392312)2218(13)14(15)1119712819h3691020H127811H2b1610
MFCD06591829
O=C1C(=Cc2cccs2)Oc2c1ccc(c2C(NH+)1CCCC1)(O)
ZINC000002433942
ZINC2433942

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Available files

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