Vitas-M small molecule compound
[2-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenoxy]acetic acid
Catalog ID
STL294211
SMILES OC(=O)COc1ccccc1c1nc2sc3c(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 C18H16N2O4S MW 356.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O4S/c21-14(22)9-24-12-7-3-1-5-10(12)16-19-17(23)15-11-6-2-4-8-13(11)25-18(15)20-16/h1,3,5,7H,2,4,6,8-9H2,(H,21,22)(H,19,20,23)InChIKey
AYWCCVXTLIVDQR-UHFFFAOYSA-NSynonyms
(2(4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenoxy)aceticacid
2(2(4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)phenoxy)aceticacid
C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC=CC=C4OCC(=O)O
InChI=1SC18H16N2O4Sc2114(22)92412731510(12)161917(23)1511624813(11)2518(15)2016h1357H24689H2(H2122)(H192023)
MFCD07403448
OC(=O)COc1ccccc1c1nc2sc3c(c2c(=O)(nH)1)CCCC3
ZINC000004945544
ZINC4945544
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