Vitas-M small molecule compound

(9E)-9-benzylidene-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline

Catalog ID
STK532795
SMILES c1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc3c(c1)OCCO3)/C(=C/c1ccccc1)/CCC2

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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 C31H26N2O2S MW 490.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O2S/c1-3-8-21(9-4-1)18-24-12-7-13-25-29(24)32-31-33(30(25)22-10-5-2-6-11-22)26(20-36-31)23-14-15-27-28(19-23)35-17-16-34-27/h1-6,8-11,14-15,18-20,30H,7,12-13,16-17H2/b24-18+
InChIKey
OKIQULLXMREHCG-HKOYGPOVSA-N
Synonyms

(9E)9benzylidene3(23dihydro14benzodioxin6yl)5phenyl5678tetrahydro(13)thiazolo(23b)quinazoline
(9E)9benzylidene3(23dihydro14benzodioxin6yl)5phenyl6789tetrahydro5H(13)thiazolo(23b)quinazoline
(E)9benzylidene3(23dihydrobenzo(b)(14)dioxin6yl)5phenyl6789tetrahydro5Hthiazolo(23b)quinazoline
C1CC(=CC2=CC=CC=C2)C3=C(C1)C(N4C(=CSC4=N3)C5=CC6=C(C=C5)OCCO6)C7=CC=CC=C7
c1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc3c(c1)OCCO3)C(=Cc1ccccc1)CCC2
InChI=1SC31H26N2O2Sc13821(941)1824127132529(24)323133(30(25)22105261122)26(203631)2314152728(1923)3517163427h168111415182030H712131617H2b2418+
MFCD02997163
ZINC000001832072
ZINC000001832074

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Available files

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