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-iodo-6-methoxyphenoxy)methyl]benzonitrile

Catalog ID
STK077827
SMILES COc1cc(cc(c1OCc1ccccc1C#N)I)/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 C36H25ClIN3O3S MW 742.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H25ClIN3O3S/c1-43-30-17-21(16-29(38)34(30)44-20-24-10-3-2-9-23(24)19-39)18-31-35(42)41-33(26-12-6-7-13-28(26)37)27-15-14-22-8-4-5-11-25(22)32(27)40-36(41)45-31/h2-13,16-18,33H,14-15,20H2,1H3/b31-18-
InChIKey
IBPWZAQXMTVWES-MNBJERMJSA-N
Synonyms

(Z)2((4((7(2chlorophenyl)9oxo5Hbenzo(h)thiazolo(23b)quinazolin10(6H7H9H)ylidene)methyl)2iodo6methoxyphenoxy)methyl)benzonitrile
2((4((Z)(7(2CHLOROPHENYL)9OXO57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN10(9H)YLIDENE)METHYL)2IODO6METHOXYPHENOXY)METHYL)BENZONITRILE
COC1=C(C(=CC(=C1)C=C2C(=O)N3C(C4=C(C5=CC=CC=C5CC4)N=C3S2)C6=CC=CC=C6Cl)I)OCC7=CC=CC=C7C#N
COc1cc(cc(c1OCc1ccccc1C#N)I)C=c1sc2=NC3=C(C(n2c1=O)c1ccccc1Cl)CCc1c3cccc1
InChI=1SC36H25ClIN3O3Sc143301721(1629(38)34(30)4420241032923(24)1939)183135(42)4133(2612671328(26)37)271514228451125(22)32(27)4036(41)4531h213161833H141520H21H3b3118
MFCD03664876
STK077827
ZINC000097959038
ZINC000097959039

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Available files

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