Vitas-M small molecule compound
(4E)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(pyridin-3-yl)pyrrolidine-2,3-dione
Catalog ID
STL052817
SMILES Cc1cccc(c1)COc1ccc(cc1)/C(=C\1/C(c2cccnc2)N(C(=O)C1=O)c1nnc(s1)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 C27H22N4O4S MW 498.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O4S/c1-16-5-3-6-18(13-16)15-35-21-10-8-19(9-11-21)24(32)22-23(20-7-4-12-28-14-20)31(26(34)25(22)33)27-30-29-17(2)36-27/h3-14,23,32H,15H2,1-2H3/b24-22+InChIKey
IYUYHHOHKQKFQM-ZNTNEXAZSA-NSynonyms
(4E)4(hydroxy(4((3methylbenzyl)oxy)phenyl)methylidene)1(5methyl134thiadiazol2yl)5(pyridin3yl)pyrrolidine23dione
(4E)4(HYDROXY(4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)1(5METHYL134THIADIAZOL2YL)5PYRIDIN3YLPYRROLIDINE23DIONE
CC1=CC(=CC=C1)COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)C)C5=CN=CC=C5)O
Cc1cccc(c1)COc1ccc(cc1)C(=C1C(c2cccnc2)N(C(=O)C1=O)c1nnc(s1)C)O
InChI=1SC27H22N4O4Sc11653618(1316)15352110819(91121)24(32)2223(207412281420)31(26(34)25(22)33)27302917(2)3627h3142332H15H212H3b2422+
MFCD07204595
ZINC000102890040
ZINC000102890042
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