Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-2-{1-[(2-{[(4-hydroxy-6,7-dimethoxyquinazolin-2-yl)methyl]sulfanyl}ethyl)amino]ethylidene}-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL547777
SMILES COc1cc2c(O)nc(nc2cc1OC)CSCCN/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/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 C31H31N3O9S MW 621.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O9S/c1-13-26(37)24(15(3)35)28-25(27(13)38)31(4)21(43-28)11-18(36)23(29(31)39)14(2)32-7-8-44-12-22-33-17-10-20(42-6)19(41-5)9-16(17)30(40)34-22/h9-11,32,37-38H,7-8,12H2,1-6H3,(H,33,34,40)/b23-14+/t31-/m0/s1InChIKey
BEFNURFBTCKXIF-VXUAEHAASA-NSynonyms
(2~(E)9~(b)~(R))6acetyl2(1(2((67dimethoxy4oxo3~(H)quinazolin2yl)methylsulfanyl)ethylamino)ethylidene)79dihydroxy89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl79dihydroxy2(1((2(((4hydroxy67dimethoxyquinazolin2yl)methyl)sulfanyl)ethyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
135639777
InChI=1SC31H31N3O9Sc11326(37)24(15(3)35)2825(27(13)38)31(4)21(4328)1118(36)23(29(31)39)14(2)327844122233171020(426)19(415)916(17)30(40)3422h911323738H7812H216H3(H333440)b2314+t31m0s1
ZINC000253623612
ZINC253623612
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