Vitas-M small molecule compound
(E)-[1-(1,3-benzothiazol-3-ium-2-yl)-2-(4-bromophenyl)-4,5-dioxopyrrolidin-3-ylidene](4-methylphenyl)methanolate
Catalog ID
STL039384
SMILES Brc1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1c1sc2c([nH+]1)cccc2
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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 C25H17BrN2O3S MW 505.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17BrN2O3S/c1-14-6-8-16(9-7-14)22(29)20-21(15-10-12-17(26)13-11-15)28(24(31)23(20)30)25-27-18-4-2-3-5-19(18)32-25/h2-13,21,29H,1H3/b22-20+InChIKey
XBQQTKAEKDEPEB-LSDHQDQOSA-NSynonyms
497231-07-9(4E)1(13BENZOTHIAZOL2YL)5(4BROMOPHENYL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(13benzothiazol3ium2yl)2(4bromophenyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
497231079
Brc1ccc(cc1)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1c1sc2c((nH+)1)cccc2
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)Br)O
InChI=1SC25H17BrN2O3Sc1146816(9714)22(29)2021(15101217(26)131115)28(24(31)23(20)30)252718423519(18)3225h2132129H1H3b2220+
MFCD18247822
ZINC000101069794
ZINC000101069796
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