Vitas-M small molecule compound
7-chloro-5'-{4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-methoxyphenyl}-6'-hydroxy-4,6-dimethoxy-1',3',8'-trimethyl-1',5',8',9'-tetrahydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-2',3,4'(3'H)-trione
Catalog ID
STL550524
SMILES COc1cc(ccc1OCCc1ccc2c(c1)CCO2)C1c2c(=O)n(C)c(=O)n(c2N=C2C1=C(O)C1(C(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC)C
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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 C40H38ClN3O10 MW 756.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H38ClN3O10/c1-19-15-23-30(35(45)40(19)36(46)31-27(50-5)18-28(51-6)33(41)34(31)54-40)29(32-37(42-23)43(2)39(48)44(3)38(32)47)22-8-10-25(26(17-22)49-4)53-13-11-20-7-9-24-21(16-20)12-14-52-24/h7-10,16-19,29,45H,11-15H2,1-6H3InChIKey
NQRONYUAAIFWSQ-UHFFFAOYSA-NSynonyms
7chloro5(4(2(23dihydro1benzofuran5yl)ethoxy)3methoxyphenyl)6hydroxy46dimethoxy138trimethyl1589tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)234(3H)trione
InChI=1SC40H38ClN3O10c119152330(35(45)40(19)36(46)3127(505)1828(516)33(41)34(31)5440)29(3237(4223)43(2)39(48)44(3)38(32)47)2281025(26(1722)494)53131120792421(1620)12145224h71016192945H1115H216H3
MFCD31757631
ZINC000888089560
ZINC000888089563
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