Vitas-M small molecule compound
(10Z)-10-{4-[(2-fluorobenzyl)oxy]-3-methoxybenzylidene}-7-(thiophen-2-yl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Catalog ID
STK051575
SMILES COc1cc(ccc1OCc1ccccc1F)/C=c/1\sc2=NC3=C(C(n2c1=O)c1cccs1)CCc1c3cccc1
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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 C33H25FN2O3S2 MW 580.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H25FN2O3S2/c1-38-27-17-20(12-15-26(27)39-19-22-8-3-5-10-25(22)34)18-29-32(37)36-31(28-11-6-16-40-28)24-14-13-21-7-2-4-9-23(21)30(24)35-33(36)41-29/h2-12,15-18,31H,13-14,19H2,1H3/b29-18-InChIKey
CLWSDJNPLQVNTC-MIXAMLLLSA-NSynonyms
(10Z)10(4((2FLUOROBENZYL)OXY)3METHOXYBENZYLIDENE)7(THIOPHEN2YL)57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN9(10H)ONE
COC1=C(C=CC(=C1)C=C2C(=O)N3C(C4=C(C5=CC=CC=C5CC4)N=C3S2)C6=CC=CS6)OCC7=CC=CC=C7F
COc1cc(ccc1OCc1ccccc1F)C=c1sc2=NC3=C(C(n2c1=O)c1cccs1)CCc1c3cccc1
InChI=1SC33H25FN2O3S2c138271720(121526(27)3919228351025(22)34)182932(37)3631(28116164028)24141321724923(21)30(24)3533(36)4129h212151831H131419H21H3b2918
MFCD08051125
STK051575
ZINC000097958681
ZINC000097958682
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