Vitas-M small molecule compound
(4E)-5-[4-(benzyloxy)phenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL049835
SMILES CC1Cc2c(O1)ccc(c2)/C(=C\1/C(c2ccc(cc2)OCc2ccccc2)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)F)/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 C34H25FN2O5S MW 592.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H25FN2O5S/c1-19-15-23-16-22(9-14-27(23)42-19)31(38)29-30(21-7-11-25(12-8-21)41-18-20-5-3-2-4-6-20)37(33(40)32(29)39)34-36-26-13-10-24(35)17-28(26)43-34/h2-14,16-17,19,30,38H,15,18H2,1H3/b31-29+InChIKey
CEJVYLZAOQIIFB-OWWNRXNESA-NSynonyms
(4E)1(6FLUORO13BENZOTHIAZOL2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(4PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)5(4(benzyloxy)phenyl)1(6fluoro13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)F)C6=CC=C(C=C6)OCC7=CC=CC=C7)O
CC1Cc2c(O1)ccc(c2)C(=C1C(c2ccc(cc2)OCc2ccccc2)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)F)O
InChI=1SC34H25FN2O5Sc11915231622(91427(23)4219)31(38)2930(2171125(12821)4118205324620)37(33(40)32(29)39)343626131024(35)1728(26)4334h2141617193038H1518H21H3b3129+
MFCD05725601
ZINC000102735492
ZINC000102735499
Check stock
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Check stock on Vitas-MAvailable files
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