Vitas-M small molecule compound

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

Catalog ID
STK699283
SMILES OC(=O)COc1ccc(cc1)/C=c/1\sc2=NC3=C(C(n2c1=O)c1cccs1)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 C27H20N2O4S2 MW 500.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O4S2/c30-23(31)15-33-18-10-7-16(8-11-18)14-22-26(32)29-25(21-6-3-13-34-21)20-12-9-17-4-1-2-5-19(17)24(20)28-27(29)35-22/h1-8,10-11,13-14,25H,9,12,15H2,(H,30,31)/b22-14-
InChIKey
LWOPKGAFZJDJTB-HMAPJEAMSA-N
Synonyms
797799-39-4
(4((Z)(9oxo7(thiophen2yl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin10(9H)ylidene)methyl)phenoxy)aceticacid
(Z)2(4((9oxo7(thiophen2yl)5Hbenzo(h)thiazolo(23b)quinazolin10(6H7H9H)ylidene)methyl)phenoxy)aceticacid
797799394
C1CC2=C(C3=CC=CC=C31)N=C4N(C2C5=CC=CS5)C(=O)C(=CC6=CC=C(C=C6)OCC(=O)O)S4
InChI=1SC27H20N2O4S2c3023(31)15331810716(81118)142226(32)2925(2163133421)2012917412519(17)24(20)2827(29)3522h181011131425H91215H2(H3031)b2214
MFCD03668588
OC(=O)COc1ccc(cc1)C=c1sc2=NC3=C(C(n2c1=O)c1cccs1)CCc1c3cccc1
ZINC000013647815
ZINC000013647818

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Available files

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