Vitas-M small molecule compound
4-[(E)-(9-oxo-7-phenyl-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene)methyl]benzoic acid
Catalog ID
STK796642
SMILES OC(=O)c1ccc(cc1)/C=c\1/sc2=NC3=C(C(n2c1=O)c1ccccc1)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 C28H20N2O3S MW 464.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N2O3S/c31-26-23(16-17-10-12-20(13-11-17)27(32)33)34-28-29-24-21-9-5-4-6-18(21)14-15-22(24)25(30(26)28)19-7-2-1-3-8-19/h1-13,16,25H,14-15H2,(H,32,33)/b23-16+InChIKey
BVFVVVNTKBLUQV-XQNSMLJCSA-NSynonyms
(Z)4((9oxo7phenyl5Hbenzo(h)thiazolo(23b)quinazolin10(6H7H9H)ylidene)methyl)benzoicacid
4((E)(9oxo7phenyl57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin10(9H)ylidene)methyl)benzoicacid
C1CC2=C(C3=CC=CC=C31)N=C4N(C2C5=CC=CC=C5)C(=O)C(=CC6=CC=C(C=C6)C(=O)O)S4
InChI=1SC28H20N2O3Sc312623(1617101220(131117)27(32)33)3428292421954618(21)141522(24)25(30(26)28)197213819h1131625H1415H2(H3233)b2316+
MFCD04227305
OC(=O)c1ccc(cc1)C=c1sc2=NC3=C(C(n2c1=O)c1ccccc1)CCc1c3cccc1
ZINC000013915757
ZINC000013915758
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