Vitas-M small molecule compound

(10Z)-7-(4-bromophenyl)-10-[3-chloro-5-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one

Catalog ID
STK699296
SMILES C#CCOc1c(Cl)cc(cc1OCC)/C=c/1\sc2=NC3=C(C(n2c1=O)c1ccc(cc1)Br)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 C32H24BrClN2O3S MW 631.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H24BrClN2O3S/c1-3-15-39-30-25(34)16-19(17-26(30)38-4-2)18-27-31(37)36-29(21-9-12-22(33)13-10-21)24-14-11-20-7-5-6-8-23(20)28(24)35-32(36)40-27/h1,5-10,12-13,16-18,29H,4,11,14-15H2,2H3/b27-18-
InChIKey
RHVWWEJAGOSJRQ-IMRQLAEWSA-N
Synonyms

(10Z)7(4bromophenyl)10(3chloro5ethoxy4(prop2yn1yloxy)benzylidene)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)7(4bromophenyl)10(3chloro5ethoxy4(prop2yn1yloxy)benzylidene)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
7(4BROMOPHENYL)10(3CHLORO5ETHOXY4(2PROPYNYLOXY)BENZYLIDENE)57DIHYDRO6HBENZO(H)(13)THIAZOLO(23B)QUINAZOLIN9(10H)ONE
C#CCOc1c(Cl)cc(cc1OCC)C=c1sc2=NC3=C(C(n2c1=O)c1ccc(cc1)Br)CCc1c3cccc1
CCOC1=C(C(=CC(=C1)C=C2C(=O)N3C(C4=C(C5=CC=CC=C5CC4)N=C3S2)C6=CC=C(C=C6)Br)Cl)OCC#C
InChI=1SC32H24BrClN2O3Sc1315393025(34)1619(1726(30)3842)182731(37)3629(2191222(33)131021)24141120756823(20)28(24)3532(36)4027h15101213161829H4111415H22H3b2718
MFCD03272405
ZINC000008452685
ZINC000008452687

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Available files

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