Vitas-M small molecule compound

1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one

Catalog ID
STK908396
SMILES CCCCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccccc2Cl)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/c1-3-5-8-15-44-25-13-11-21(18-27(25)43-4-2)30-29(31(40)22-12-14-26-28(19-22)46-17-16-45-26)32(41)33(42)39(30)34-37-38-35(48-34)47-20-23-9-6-7-10-24(23)36/h6-7,9-14,18-19,30,41H,3-5,8,15-17,20H2,1-2H3
InChIKey
NNYRPFRHBMAJDH-UHFFFAOYSA-N
Synonyms

1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6ylcarbonyl)5(3ethoxy4(pentyloxy)phenyl)3hydroxy15dihydro2Hpyrrol2one
1(5((2chlorobenzyl)thio)134thiadiazol2yl)4(23dihydrobenzo(b)(14)dioxine6carbonyl)5(3ethoxy4(pentyloxy)phenyl)3hydroxy1Hpyrrol2(5H)one
MFCD04578773
ZINC000097967923
ZINC000097967924

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Available files

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