Vitas-M small molecule compound

(10E)-10-[3-bromo-5-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-7-(3-methoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one

Catalog ID
STK326084
SMILES C=CCOc1c(Br)cc(cc1OC)/C=c\1/sc2=NC3=C(C(n2c1=O)c1cccc(c1)OC)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 C32H27BrN2O4S MW 615.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27BrN2O4S/c1-4-14-39-30-25(33)15-19(16-26(30)38-3)17-27-31(36)35-29(21-9-7-10-22(18-21)37-2)24-13-12-20-8-5-6-11-23(20)28(24)34-32(35)40-27/h4-11,15-18,29H,1,12-14H2,2-3H3/b27-17+
InChIKey
VURRETVICZTKJI-WPWMEQJKSA-N
Synonyms

(10E)10(3bromo5methoxy4(prop2en1yloxy)benzylidene)7(3methoxyphenyl)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)10(4(allyloxy)3bromo5methoxybenzylidene)7(3methoxyphenyl)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
C=CCOc1c(Br)cc(cc1OC)C=c1sc2=NC3=C(C(n2c1=O)c1cccc(c1)OC)CCc1c3cccc1
COC1=CC=CC(=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC(=C(C(=C6)Br)OCC=C)OC)S5
InChI=1SC32H27BrN2O4Sc1414393025(33)1519(1626(30)383)172731(36)3529(21971022(1821)372)241312208561123(20)28(24)3432(35)4027h411151829H11214H223H3b2717+
MFCD04227257
ZINC000097962582
ZINC000097962583

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Available files

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