Vitas-M small molecule compound
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK905330
SMILES CC1Oc2c(C1)cc(cc2)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])c1sc2c(n1)c(C)cc(c2)C
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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 C29H23N3O6S MW 541.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O6S/c1-14-10-15(2)24-22(11-14)39-29(30-24)31-25(17-4-7-20(8-5-17)32(36)37)23(27(34)28(31)35)26(33)18-6-9-21-19(13-18)12-16(3)38-21/h4-11,13,16,25,34H,12H2,1-3H3InChIKey
NHZNUWPSSODBAE-UHFFFAOYSA-NSynonyms
1(46dimethyl13benzothiazol2yl)3hydroxy4((2methyl23dihydro1benzofuran5yl)carbonyl)5(4nitrophenyl)15dihydro2Hpyrrol2one
1(46dimethylbenzo(d)thiazol2yl)3hydroxy4(2methyl23dihydrobenzofuran5carbonyl)5(4nitrophenyl)1Hpyrrol2(5H)one
CC1Oc2c(C1)cc(cc2)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))c1sc2c(n1)c(C)cc(c2)C
MFCD05701904
ZINC000097955652
ZINC000097955655
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