Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK705414
SMILES CCCCCOc1ccc(cc1OC)C1N(c2nc3c(s2)cc(cc3)OCC)C(=O)C(=C1C(=O)c1cc2c(o1)cccc2)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 C34H32N2O7S MW 612.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N2O7S/c1-4-6-9-16-42-25-15-12-21(18-26(25)40-3)30-29(31(37)27-17-20-10-7-8-11-24(20)43-27)32(38)33(39)36(30)34-35-23-14-13-22(41-5-2)19-28(23)44-34/h7-8,10-15,17-19,30,38H,4-6,9,16H2,1-3H3InChIKey
GNMSVYBOOIBCOP-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)1(6ETHOXY13BENZOTHIAZOL2YL)4HYDROXY2(3METHOXY4PENTOXYPHENYL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)1(6ethoxy13benzothiazol2yl)3hydroxy5(3methoxy4(pentyloxy)phenyl)15dihydro2Hpyrrol2one
CCCCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)OCC)O)C(=O)C5=CC6=CC=CC=C6O5)OC
InChI=1SC34H32N2O7Sc1469164225151221(1826(25)403)3029(31(37)27172010781124(20)4327)32(38)33(39)36(30)343523141322(4152)1928(23)4434h78101517193038H46916H213H3
MFCD04088606
ZINC000008441749
ZINC000008441751
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