Vitas-M small molecule compound
4-[(4-butoxyphenyl)carbonyl]-3-hydroxy-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK816368
SMILES CCCCOc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1cccc(c1)[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 C31H28N4O6S2 MW 616.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O6S2/c1-3-4-16-41-24-14-12-21(13-15-24)27(36)25-26(22-6-5-7-23(17-22)35(39)40)34(29(38)28(25)37)30-32-33-31(43-30)42-18-20-10-8-19(2)9-11-20/h5-15,17,26,37H,3-4,16,18H2,1-2H3InChIKey
SVHBUKYXBLDGHG-UHFFFAOYSA-NSynonyms
4((4butoxyphenyl)carbonyl)3hydroxy1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)5(3nitrophenyl)15dihydro2Hpyrrol2one
CCCCOc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))c1nnc(s1)SCc1ccc(cc1)C
MFCD03527357
ZINC000098047593
ZINC000098047594
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