Vitas-M small molecule compound

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

Catalog ID
STK796752
SMILES OC(=O)c1ccccc1c1ccc(o1)/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 C30H20N2O4S2 MW 536.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H20N2O4S2/c33-28-25(16-18-12-14-23(36-18)20-8-3-4-9-21(20)29(34)35)38-30-31-26-19-7-2-1-6-17(19)11-13-22(26)27(32(28)30)24-10-5-15-37-24/h1-10,12,14-16,27H,11,13H2,(H,34,35)/b25-16-
InChIKey
XQHSHYIANPKKQI-XYGWBWBKSA-N
Synonyms
724748-65-6
(Z)2(5((9oxo7(thiophen2yl)5Hbenzo(h)thiazolo(23b)quinazolin10(6H7H9H)ylidene)methyl)furan2yl)benzoicacid
2(5((Z)(9oxo7(thiophen2yl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin10(9H)ylidene)methyl)furan2yl)benzoicacid
724748656
C1CC2=C(C3=CC=CC=C31)N=C4N(C2C5=CC=CS5)C(=O)C(=CC6=CC=C(O6)C7=CC=CC=C7C(=O)O)S4
InChI=1SC30H20N2O4S2c332825(1618121423(3618)20834921(20)29(34)35)3830312619721617(19)111322(26)27(32(28)30)24105153724h11012141627H1113H2(H3435)b2516
MFCD04005955
OC(=O)c1ccccc1c1ccc(o1)C=c1sc2=NC3=C(C(n2c1=O)c1cccs1)CCc1c3cccc1
ZINC000002262732
ZINC000002262734

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Available files

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