Vitas-M small molecule compound
1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK908412
SMILES CCOc1cc(ccc1OCCC(C)C)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=C1C(=O)c1ccc2c(c1)OCCO2)O
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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 C35H34ClN3O7S2 MW 708.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H34ClN3O7S2/c1-4-43-27-17-22(7-11-25(27)44-14-13-20(2)3)30-29(31(40)23-8-12-26-28(18-23)46-16-15-45-26)32(41)33(42)39(30)34-37-38-35(48-34)47-19-21-5-9-24(36)10-6-21/h5-12,17-18,20,30,41H,4,13-16,19H2,1-3H3InChIKey
HCJOFGOAKIKZGC-UHFFFAOYSA-NSynonyms
1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6ylcarbonyl)5(3ethoxy4(3methylbutoxy)phenyl)3hydroxy15dihydro2Hpyrrol2one
1(5((4chlorobenzyl)thio)134thiadiazol2yl)4(23dihydrobenzo(b)(14)dioxine6carbonyl)5(3ethoxy4(isopentyloxy)phenyl)3hydroxy1Hpyrrol2(5H)one
MFCD06285431
ZINC000097968426
ZINC000097968427
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