Vitas-M small molecule compound
4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK908715
SMILES CCCCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2cccc3c2cccc3)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 C39H37N3O7S2 MW 723.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H37N3O7S2/c1-3-5-8-18-47-29-16-14-25(21-31(29)46-4-2)34-33(35(43)26-15-17-30-32(22-26)49-20-19-48-30)36(44)37(45)42(34)38-40-41-39(51-38)50-23-27-12-9-11-24-10-6-7-13-28(24)27/h6-7,9-17,21-22,34,44H,3-5,8,18-20,23H2,1-2H3InChIKey
VGQJLTLQXBEQBN-UHFFFAOYSA-NSynonyms
4(23dihydro14benzodioxin6ylcarbonyl)5(3ethoxy4(pentyloxy)phenyl)3hydroxy1(5((naphthalen1ylmethyl)sulfanyl)134thiadiazol2yl)15dihydro2Hpyrrol2one
4(23dihydrobenzo(b)(14)dioxine6carbonyl)5(3ethoxy4(pentyloxy)phenyl)3hydroxy1(5((naphthalen1ylmethyl)thio)134thiadiazol2yl)1Hpyrrol2(5H)one
MFCD06285457
ZINC000097967985
ZINC000097967986
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