Vitas-M small molecule compound

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

Catalog ID
STK699277
SMILES COc1cccc(c1)C1C2=C(N=c3n1c(=O)/c(=C/c1ccc(cc1)C(=O)O)/s3)c1c(CC2)cccc1

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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 C29H22N2O4S MW 494.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N2O4S/c1-35-21-7-4-6-20(16-21)26-23-14-13-18-5-2-3-8-22(18)25(23)30-29-31(26)27(32)24(36-29)15-17-9-11-19(12-10-17)28(33)34/h2-12,15-16,26H,13-14H2,1H3,(H,33,34)/b24-15-
InChIKey
GKRGPXWHUVXKEC-IWIPYMOSSA-N
Synonyms
497226-18-3
(Z)4((7(3methoxyphenyl)9oxo5Hbenzo(h)thiazolo(23b)quinazolin10(6H7H9H)ylidene)methyl)benzoicacid
4((Z)(7(3methoxyphenyl)9oxo57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin10(9H)ylidene)methyl)benzoicacid
497226183
COC1=CC=CC(=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC=C(C=C6)C(=O)O)S5
COc1cccc(c1)C1C2=C(N=c3n1c(=O)c(=Cc1ccc(cc1)C(=O)O)s3)c1c(CC2)cccc1
InChI=1SC29H22N2O4Sc1352174620(1621)2623141318523822(18)25(23)302931(26)27(32)24(3629)151791119(121017)28(33)34h212151626H1314H21H3(H3334)b2415
MFCD03666238
ZINC000002376215
ZINC000002376218

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Available files

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