Vitas-M small molecule compound

2-[(4-{(Z)-[7-(2-chlorophenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}-2-ethoxyphenoxy)methyl]benzonitrile

Catalog ID
STK699292
SMILES CCOc1cc(ccc1OCc1ccccc1C#N)/C=c/1\sc2=NC3=C(C(n2c1=O)c1ccccc1Cl)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 C37H28ClN3O3S MW 630.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H28ClN3O3S/c1-2-43-32-19-23(15-18-31(32)44-22-26-11-4-3-10-25(26)21-39)20-33-36(42)41-35(28-13-7-8-14-30(28)38)29-17-16-24-9-5-6-12-27(24)34(29)40-37(41)45-33/h3-15,18-20,35H,2,16-17,22H2,1H3/b33-20-
InChIKey
CEAFYAOTGKQPNE-UCMJSZAQSA-N
Synonyms

(Z)2((4((7(2chlorophenyl)9oxo5Hbenzo(h)thiazolo(23b)quinazolin10(6H7H9H)ylidene)methyl)2ethoxyphenoxy)methyl)benzonitrile
2((4((7(2CHLOROPHENYL)9OXO57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN10(9H)YLIDENE)METHYL)2ETHOXYPHENOXY)METHYL)BENZONITRILE
2((4((Z)(7(2chlorophenyl)9oxo57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin10(9H)ylidene)methyl)2ethoxyphenoxy)methyl)benzonitrile
CCOC1=C(C=CC(=C1)C=C2C(=O)N3C(C4=C(C5=CC=CC=C5CC4)N=C3S2)C6=CC=CC=C6Cl)OCC7=CC=CC=C7C#N
CCOc1cc(ccc1OCc1ccccc1C#N)C=c1sc2=NC3=C(C(n2c1=O)c1ccccc1Cl)CCc1c3cccc1
InChI=1SC37H28ClN3O3Sc1243321923(151831(32)44222611431025(26)2139)203336(42)4135(2813781430(28)38)291716249561227(24)34(29)4037(41)4533h315182035H2161722H21H3b3320
MFCD03272408
ZINC000008452689
ZINC000008452690

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Available files

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