Vitas-M small molecule compound

methyl 4-{butanoyl[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]amino}benzoate

Catalog ID
STK554368
SMILES CCCC(=O)N(c1ccc(cc1)C(=O)OC)/C=C/1\Sc2c(C1=O)cccc2

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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 C21H19NO4S MW 381.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO4S/c1-3-6-19(23)22(15-11-9-14(10-12-15)21(25)26-2)13-18-20(24)16-7-4-5-8-17(16)27-18/h4-5,7-13H,3,6H2,1-2H3/b18-13-
InChIKey
CPANILWMVXBWBS-AQTBWJFISA-N
Synonyms
840473-29-2
(Z)methyl4(N((3oxobenzo(b)thiophen2(3H)ylidene)methyl)butyramido)benzoate
840473292
CCCC(=O)N(C=C1C(=O)C2=CC=CC=C2S1)C3=CC=C(C=C3)C(=O)OC
CCCC(=O)N(c1ccc(cc1)C(=O)OC)C=C1Sc2c(C1=O)cccc2
InChI=1SC21H19NO4Sc13619(23)22(1511914(101215)21(25)262)131820(24)16745817(16)2718h45713H36H212H3b1813
methyl4(butanoyl((Z)(3oxo1benzothiophen2(3H)ylidene)methyl)amino)benzoate
METHYL4(BUTANOYL((Z)(3OXO1BENZOTHIOPHEN2YLIDENE)METHYL)AMINO)BENZOATE
MFCD04005629
ZINC000101028414
ZINC101028414

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Available files

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