Vitas-M small molecule compound
2-methoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl benzenesulfonate
Catalog ID
STK014368
SMILES COc1cc(ccc1OS(=O)(=O)c1ccccc1)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 C23H20N2O5S2 MW 468.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O5S2/c1-29-18-13-14(11-12-17(18)30-32(27,28)15-7-3-2-4-8-15)21-24-22(26)20-16-9-5-6-10-19(16)31-23(20)25-21/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,24,25,26)InChIKey
NTAZHMRVDUUQFL-UHFFFAOYSA-NSynonyms
(2methoxy4(4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)phenyl)benzenesulfonate
2methoxy4(4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenylbenzenesulfonate
2methoxy4(4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)phenylbenzenesulfonate
COC1=C(C=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OS(=O)(=O)C5=CC=CC=C5
COc1cc(ccc1OS(=O)(=O)c1ccccc1)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC23H20N2O5S2c129181314(111217(18)3032(2728)157324815)212422(26)20169561019(16)3123(20)2521h24781113H56910H21H3(H242526)
MFCD02187743
STK014368
ZINC000002293017
ZINC02293017
ZINC2293017
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