Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL048174
SMILES COc1cc(ccc1O)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O
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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 C30H26N2O6S MW 542.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O6S/c1-14-9-15(2)25-23(10-14)39-30(31-25)32-26(17-5-7-20(33)22(13-17)37-4)24(28(35)29(32)36)27(34)18-6-8-21-19(12-18)11-16(3)38-21/h5-10,12-13,16,26,33-34H,11H2,1-4H3/b27-24+InChIKey
SHHLDHWGMTTXOK-SOYKGTTHSA-NSynonyms
850826-75-4(4E)1(46dimethyl13benzothiazol2yl)5(4hydroxy3methoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
850826754
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(C=C(C=C5S4)C)C)C6=CC(=C(C=C6)O)OC)O
COc1cc(ccc1O)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC30H26N2O6Sc114915(2)2523(1014)3930(3125)3226(175720(33)22(1317)374)24(28(35)29(32)36)27(34)18682119(1218)1116(3)3821h510121316263334H11H214H3b2724+
MFCD05736962
ZINC000102883488
ZINC000102883493
Check stock
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