Vitas-M small molecule compound
(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK570420
SMILES C=CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)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 C33H29N3O5S2 MW 611.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29N3O5S2/c1-4-14-40-25-7-5-6-22(17-25)28-27(29(37)23-12-13-26-24(16-23)15-20(3)41-26)30(38)31(39)36(28)32-34-35-33(43-32)42-18-21-10-8-19(2)9-11-21/h4-13,16-17,20,28,37H,1,14-15,18H2,2-3H3/b29-27+InChIKey
MAIZFVSGDGCONO-ORIPQNMZSA-NSynonyms
893698-53-8(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)5(3(prop2en1yloxy)phenyl)pyrrolidine23dione
(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
893698538
C=CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=C(C=C5)C)C6=CC(=CC=C6)OCC=C)O
InChI=1SC33H29N3O5S2c1414402575622(1725)2827(29(37)2312132624(1623)1520(3)4126)30(38)31(39)36(28)32343533(4332)42182110819(2)91121h4131617202837H1141518H223H3b2927+
MFCD05725245
ZINC000101316805
ZINC000101316812
Check stock
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Check stock on Vitas-MAvailable files
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