Vitas-M small molecule compound

[2-bromo-6-methoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenoxy]acetic acid

Catalog ID
STL354433
SMILES COc1cc(cc(c1OCC(=O)O)Br)c1nc2sc3c(c2c(=O)[nH]1)CCCC3

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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 C19H17BrN2O5S MW 465.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrN2O5S/c1-26-12-7-9(6-11(20)16(12)27-8-14(23)24)17-21-18(25)15-10-4-2-3-5-13(10)28-19(15)22-17/h6-7H,2-5,8H2,1H3,(H,23,24)(H,21,22,25)
InChIKey
UKVOBIBAHUBZSL-UHFFFAOYSA-N
Synonyms

(2bromo6methoxy4(4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenoxy)aceticacid
2(2bromo6methoxy4(4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)phenoxy)aceticacid
COC1=C(C(=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)Br)OCC(=O)O
COc1cc(cc(c1OCC(=O)O)Br)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC19H17BrN2O5Sc1261279(611(20)16(12)27814(23)24)172118(25)1510423513(10)2819(15)2217h67H258H21H3(H2324)(H212225)
MFCD04367026
ZINC000004395957
ZINC4395957

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Available files

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