Vitas-M small molecule compound
(4E)-5-(4-tert-butylphenyl)-4-[hydroxy(4-methylphenyl)methylidene]-1-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}pyrrolidine-2,3-dione
Catalog ID
STL038672
SMILES Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)c1ncc(s1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])/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 C31H27N3O7S2 MW 617.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N3O7S2/c1-18-5-7-20(8-6-18)27(35)25-26(19-9-11-21(12-10-19)31(2,3)4)33(29(37)28(25)36)30-32-17-24(42-30)43(40,41)23-15-13-22(14-16-23)34(38)39/h5-17,26,35H,1-4H3/b27-25+InChIKey
QZMXZKSYYRESPX-IMVLJIQESA-NSynonyms
(4E)5(4tertbutylphenyl)4(hydroxy(4methylphenyl)methylidene)1(5((4nitrophenyl)sulfonyl)13thiazol2yl)pyrrolidine23dione
(4E)5(4TERTBUTYLPHENYL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)1(5(4NITROPHENYL)SULFONYL13THIAZOL2YL)PYRROLIDINE23DIONE
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)(N+)(=O)(O))C5=CC=C(C=C5)C(C)(C)C)O
Cc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)c1ncc(s1)S(=O)(=O)c1ccc(cc1)(N+)(=O)(O))O
InChI=1SC31H27N3O7S2c1185720(8618)27(35)2526(1991121(121019)31(23)4)33(29(37)28(25)36)30321724(4230)43(4041)23151322(141623)34(38)39h5172635H14H3b2725+
MFCD03816110
ZINC000102862025
ZINC000102862029
Check stock
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Check stock on Vitas-MAvailable files
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