Vitas-M small molecule compound
(E)-[1-(1,3-benzothiazol-3-ium-2-yl)-2-(2,5-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene](4-methylphenyl)methanolate
Catalog ID
STL044695
SMILES COc1ccc(c(c1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1c1sc2c([nH+]1)cccc2)OC
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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 C27H22N2O5S MW 486.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O5S/c1-15-8-10-16(11-9-15)24(30)22-23(18-14-17(33-2)12-13-20(18)34-3)29(26(32)25(22)31)27-28-19-6-4-5-7-21(19)35-27/h4-14,23,30H,1-3H3/b24-22+InChIKey
CIRPDDVQNWTLGT-ZNTNEXAZSA-NSynonyms
421581-66-0(4E)1(13BENZOTHIAZOL2YL)5(25DIMETHOXYPHENYL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(13benzothiazol3ium2yl)2(25dimethoxyphenyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
421581660
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=CC=CC=C4S3)C5=C(C=CC(=C5)OC)OC)O
COc1ccc(c(c1)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1c1sc2c((nH+)1)cccc2)OC
InChI=1SC27H22N2O5Sc11581016(11915)24(30)2223(181417(332)121320(18)343)29(26(32)25(22)31)272819645721(19)3527h4142330H13H3b2422+
MFCD18248467
ZINC000102875407
ZINC000102875412
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