Vitas-M small molecule compound

4-bromo-2-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl propanoate

Catalog ID
STK869451
SMILES CCC(=O)Oc1ccc(cc1/C=C/1\Sc2c(C1=O)cccc2)Br

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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 C18H13BrO3S MW 389.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13BrO3S/c1-2-17(20)22-14-8-7-12(19)9-11(14)10-16-18(21)13-5-3-4-6-15(13)23-16/h3-10H,2H2,1H3/b16-10-
InChIKey
CADDMZOKBBAWIN-YBEGLDIGSA-N
Synonyms
374094-84-5
(4BROMO2((Z)(3OXO1BENZOTHIOPHEN2YLIDENE)METHYL)PHENYL)PROPANOATE
(Z)4bromo2((3oxobenzo(b)thiophen2(3H)ylidene)methyl)phenylpropionate
374094845
4bromo2((Z)(3oxo1benzothiophen2(3H)ylidene)methyl)phenylpropanoate
CCC(=O)OC1=C(C=C(C=C1)Br)C=C2C(=O)C3=CC=CC=C3S2
CCC(=O)Oc1ccc(cc1C=C1Sc2c(C1=O)cccc2)Br
InChI=1SC18H13BrO3Sc1217(20)22148712(19)911(14)101618(21)13534615(13)2316h310H2H21H3b1610
MFCD01951547
ZINC000012561936
ZINC12561936

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Available files

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