Vitas-M small molecule compound
3-hydroxy-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK516516
SMILES COc1cccc2c1oc(c2)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])c1nnc(s1)SCc1ccc(cc1)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 C30H22N4O7S2 MW 614.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22N4O7S2/c1-16-6-8-17(9-7-16)15-42-30-32-31-29(43-30)33-24(18-10-12-20(13-11-18)34(38)39)23(26(36)28(33)37)25(35)22-14-19-4-3-5-21(40-2)27(19)41-22/h3-14,24,36H,15H2,1-2H3InChIKey
ASYFLPQGLFQAJH-UHFFFAOYSA-NSynonyms
3hydroxy4((7methoxy1benzofuran2yl)carbonyl)1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)5(4nitrophenyl)15dihydro2Hpyrrol2one
4HYDROXY3(7METHOXY1BENZOFURAN2CARBONYL)1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)2(4NITROPHENYL)2HPYRROL5ONE
CC1=CC=C(C=C1)CSC2=NN=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=C(O4)C(=CC=C5)OC)C6=CC=C(C=C6)(N+)(=O)(O)
COc1cccc2c1oc(c2)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))c1nnc(s1)SCc1ccc(cc1)C
InChI=1SC30H22N4O7S2c1166817(9716)154230323129(4330)3324(18101220(131118)34(38)39)23(26(36)28(33)37)25(35)22141943521(402)27(19)4122h3142436H15H212H3
MFCD04542018
ZINC000100953579
ZINC000100953582
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Check stock on Vitas-MAvailable files
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