Vitas-M small molecule compound
(4aR)-8-acetyl-1-(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)-5,7-dihydroxy-3,4a,6-trimethyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL552607
SMILES Clc1nn(c(n1)n1nc(c2c1C=C1Oc3c([C@]1(C2=O)C)c(O)c(c(c3C(=O)C)O)C)C)Cc1ccccc1
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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 C27H22ClN5O5 MW 531.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN5O5/c1-12-21(35)19(14(3)34)23-20(22(12)36)27(4)17(38-23)10-16-18(24(27)37)13(2)30-33(16)26-29-25(28)31-32(26)11-15-8-6-5-7-9-15/h5-10,35-36H,11H2,1-4H3/t27-/m0/s1InChIKey
AWAMDIAQOBDWOK-MHZLTWQESA-NSynonyms
(4~(a)~(R))8acetyl1(2benzyl5chloro124triazol3yl)57dihydroxy34~(a)6trimethyl(1)benzofuro(32f)indazol4one
(4aR)8acetyl1(1benzyl3chloro1H124triazol5yl)57dihydroxy34a6trimethyl14adihydro4H(1)benzofuro(32f)indazol4one
(R)8acetyl1(1benzyl3chloro1H124triazol5yl)57dihydroxy34a6trimethyl1Hbenzofuro(32f)indazol4(4aH)one
135640815
Clc1nn(c(n1)n1nc(c2c1C=C1Oc3c((C@)1(C2=O)C)c(O)c(c(c3C(=O)C)O)C)C)Cc1ccccc1
InChI=1SC27H22ClN5O5c11221(35)19(14(3)34)2320(22(12)36)27(4)17(3823)101618(24(27)37)13(2)3033(16)262925(28)3132(26)11158657915h5103536H11H214H3t27m0s1
ZINC001547138202
Check stock
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