Vitas-M small molecule compound
{4-bromo-2-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenoxy}acetic acid
Catalog ID
STL376334
SMILES OC(=O)COc1ccc(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 C17H11BrO4S MW 391.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11BrO4S/c18-11-5-6-13(22-9-16(19)20)10(7-11)8-15-17(21)12-3-1-2-4-14(12)23-15/h1-8H,9H2,(H,19,20)/b15-8-InChIKey
LSOHMUFPOTXAJF-NVNXTCNLSA-NSynonyms
(4bromo2((Z)(3oxo1benzothiophen2(3H)ylidene)methyl)phenoxy)aceticacid
2(4BROMO2((3OXOBENZO(B)THIOPHEN2YLIDENE)METHYL)PHENOXY)ACETICACID
2(4BROMO2((Z)(3OXO1BENZOTHIOPHEN2YLIDENE)METHYL)PHENOXY)ACETICACID
C1=CC=C2C(=C1)C(=O)C(=CC3=C(C=CC(=C3)Br)OCC(=O)O)S2
InChI=1SC17H11BrO4Sc18115613(22916(19)20)10(711)81517(21)12312414(12)2315h18H9H2(H1920)b158
MFCD04402437
OC(=O)COc1ccc(cc1C=C1Sc2c(C1=O)cccc2)Br
ZINC000005648186
ZINC5648186
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