Vitas-M small molecule compound
4-{(Z)-[7-(2-chlorophenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene]methyl}phenyl 4-methoxybenzoate
Catalog ID
STK699270
SMILES COc1ccc(cc1)C(=O)Oc1ccc(cc1)/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 C35H25ClN2O4S MW 605.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H25ClN2O4S/c1-41-24-17-12-23(13-18-24)34(40)42-25-15-10-21(11-16-25)20-30-33(39)38-32(27-8-4-5-9-29(27)36)28-19-14-22-6-2-3-7-26(22)31(28)37-35(38)43-30/h2-13,15-18,20,32H,14,19H2,1H3/b30-20-InChIKey
PTOGPKVUGFTCLH-COEJQBHMSA-NSynonyms
(Z)4((7(2chlorophenyl)9oxo5Hbenzo(h)thiazolo(23b)quinazolin10(6H7H9H)ylidene)methyl)phenyl4methoxybenzoate
4((Z)(7(2chlorophenyl)9oxo57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin10(9H)ylidene)methyl)phenyl4methoxybenzoate
COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C3C(=O)N4C(C5=C(C6=CC=CC=C6CC5)N=C4S3)C7=CC=CC=C7Cl
COc1ccc(cc1)C(=O)Oc1ccc(cc1)C=c1sc2=NC3=C(C(n2c1=O)c1ccccc1Cl)CCc1c3cccc1
InChI=1SC35H25ClN2O4Sc14124171223(131824)34(40)4225151021(111625)203033(39)3832(27845929(27)36)28191422623726(22)31(28)3735(38)4330h21315182032H1419H21H3b3020
MFCD03666016
ZINC000097968504
ZINC000097968505
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