Vitas-M small molecule compound

(10Z)-7-(3,4-dimethoxyphenyl)-10-{[5-(piperidin-1-yl)furan-2-yl]methylidene}-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one

Catalog ID
STK742724
SMILES COc1cc(ccc1OC)C1C2=C(N=c3n1c(=O)/c(=C/c1ccc(o1)N1CCCCC1)/s3)c1c(CC2)cccc1

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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 C32H31N3O4S MW 553.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3O4S/c1-37-25-14-11-21(18-26(25)38-2)30-24-13-10-20-8-4-5-9-23(20)29(24)33-32-35(30)31(36)27(40-32)19-22-12-15-28(39-22)34-16-6-3-7-17-34/h4-5,8-9,11-12,14-15,18-19,30H,3,6-7,10,13,16-17H2,1-2H3/b27-19-
InChIKey
MZNIQJORWNYDBX-DIBXZPPDSA-N
Synonyms

(10Z)7(34dimethoxyphenyl)10((5(piperidin1yl)furan2yl)methylidene)57dihydro6Hbenzo(h)(13)thiazolo(23b)quinazolin9(10H)one
(Z)7(34dimethoxyphenyl)10((5(piperidin1yl)furan2yl)methylene)710dihydro5Hbenzo(h)thiazolo(23b)quinazolin9(6H)one
COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC=C(O6)N7CCCCC7)S5)OC
COc1cc(ccc1OC)C1C2=C(N=c3n1c(=O)c(=Cc1ccc(o1)N1CCCCC1)s3)c1c(CC2)cccc1
InChI=1SC32H31N3O4Sc13725141121(1826(25)382)3024131020845923(20)29(24)333235(30)31(36)27(4032)1922121528(3922)34166371734h458911121415181930H36710131617H212H3b2719
MFCD03665916
ZINC000001868826
ZINC000001868828

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Available files

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