Vitas-M small molecule compound

(2E)-4-{[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid

Catalog ID
STK030682
SMILES COC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCCC2

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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 C14H15NO5S MW 309.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15NO5S/c1-20-14(19)12-8-4-2-3-5-9(8)21-13(12)15-10(16)6-7-11(17)18/h6-7H,2-5H2,1H3,(H,15,16)(H,17,18)/b7-6+
InChIKey
PHSWQJBAHRHEHZ-VOTSOKGWSA-N
Synonyms
314279-07-7
(2E)4((3(methoxycarbonyl)4567tetrahydro1benzothiophen2yl)amino)4oxobut2enoicacid
(E)4((3methoxycarbonyl4567tetrahydro1benzothiophen2yl)amino)4oxobut2enoicacid
314279077
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC(=O)O
COC(=O)c1c(NC(=O)C=CC(=O)O)sc2c1CCCC2
InChI=1SC14H15NO5Sc12014(19)12842359(8)2113(12)1510(16)6711(17)18h67H25H21H3(H1516)(H1718)b76+
MFCD00411473
STK030682
ZINC000000084410
ZINC84410

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Available files

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