Vitas-M small molecule compound
2-chloro-5-[5-(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoic acid
Catalog ID
STK613001
SMILES OC(=O)c1cc(ccc1Cl)c1ccc(o1)c1nc(O)c2c(n1)sc1c2CCCC1
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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 C21H15ClN2O4S MW 426.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN2O4S/c22-13-6-5-10(9-12(13)21(26)27)14-7-8-15(28-14)18-23-19(25)17-11-3-1-2-4-16(11)29-20(17)24-18/h5-9H,1-4H2,(H,26,27)(H,23,24,25)InChIKey
DWSYSDJQRZHAOO-UHFFFAOYSA-NSynonyms
2chloro5(5(4hydroxy5678tetrahydro(1)benzothieno(23d)pyrimidin2yl)furan2yl)benzoicacid
2chloro5(5(4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)furan2yl)benzoicacid
C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC=C(O4)C5=CC(=C(C=C5)Cl)C(=O)O
InChI=1SC21H15ClN2O4Sc22136510(912(13)21(26)27)147815(2814)182319(25)1711312416(11)2920(17)2418h59H14H2(H2627)(H232425)
MFCD02316111
ZINC000008711271
ZINC8711271
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