Vitas-M small molecule compound
2-chloro-4-(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-6-methoxyphenyl 4-methylbenzenesulfonate
Catalog ID
STK623233
SMILES COc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)C)Cl)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 C24H21ClN2O5S2 MW 517.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN2O5S2/c1-13-7-9-15(10-8-13)34(29,30)32-21-17(25)11-14(12-18(21)31-2)22-26-23(28)20-16-5-3-4-6-19(16)33-24(20)27-22/h7-12H,3-6H2,1-2H3,(H,26,27,28)InChIKey
ITPPRPUEHHJSGN-UHFFFAOYSA-NSynonyms
(2chloro6methoxy4(4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)phenyl)4methylbenzenesulfonate
2chloro4(4hydroxy5678tetrahydro(1)benzothieno(23d)pyrimidin2yl)6methoxyphenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3)OC
InChI=1SC24H21ClN2O5S2c1137915(10813)34(2930)322117(25)1114(1218(21)312)222623(28)2016534619(16)3324(20)2722h712H36H212H3(H262728)
MFCD09792373
ZINC000002124715
ZINC02124715
ZINC2124715
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