Vitas-M small molecule compound
methyl (2-ethoxy-4-{(Z)-[9-oxo-7-(thiophen-2-yl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}phenoxy)acetate
Catalog ID
STL071477
SMILES CCOc1cc(ccc1OCC(=O)OC)/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 C30H26N2O5S2 MW 558.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O5S2/c1-3-36-23-15-18(10-13-22(23)37-17-26(33)35-2)16-25-29(34)32-28(24-9-6-14-38-24)21-12-11-19-7-4-5-8-20(19)27(21)31-30(32)39-25/h4-10,13-16,28H,3,11-12,17H2,1-2H3/b25-16-InChIKey
LFYMZZVXOCZSLH-XYGWBWBKSA-NSynonyms
(Z)methyl2(2ethoxy4((9oxo7(thiophen2yl)5Hbenzo(h)thiazolo(23b)quinazolin10(6H7H9H)ylidene)methyl)phenoxy)acetate
CCOC1=C(C=CC(=C1)C=C2C(=O)N3C(C4=C(C5=CC=CC=C5CC4)N=C3S2)C6=CC=CS6)OCC(=O)OC
CCOc1cc(ccc1OCC(=O)OC)C=c1sc2=NC3=C(C(n2c1=O)c1cccs1)CCc1c3cccc1
InChI=1SC30H26N2O5S2c1336231518(101322(23)371726(33)352)162529(34)3228(2496143824)21121119745820(19)27(21)3130(32)3925h410131628H3111217H212H3b2516
methyl(2ethoxy4((Z)(9oxo7(thiophen2yl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin10(9H)ylidene)methyl)phenoxy)acetate
MFCD03682308
ZINC000097968929
ZINC000097968930
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