Vitas-M small molecule compound

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

Catalog ID
STL232792
SMILES Cc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc3c(c1)OCCO3)/C(=C/c1ccc(cc1)C)/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 C33H30N2O2S MW 518.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O2S/c1-21-6-10-23(11-7-21)18-26-4-3-5-27-31(26)34-33-35(32(27)24-12-8-22(2)9-13-24)28(20-38-33)25-14-15-29-30(19-25)37-17-16-36-29/h6-15,18-20,32H,3-5,16-17H2,1-2H3/b26-18+
InChIKey
ROSQCEUTTFOQSU-NLRVBDNBSA-N
Synonyms
385388-22-7
(9E)3(23dihydro14benzodioxin6yl)5(4methylphenyl)9((4methylphenyl)methylidene)5678tetrahydro(13)thiazolo(23b)quinazoline
(9E)3(23dihydro14benzodioxin6yl)9(4methylbenzylidene)5(4methylphenyl)6789tetrahydro5H(13)thiazolo(23b)quinazoline
(E)3(23dihydrobenzo(b)(14)dioxin6yl)9(4methylbenzylidene)5(ptolyl)6789tetrahydro5Hthiazolo(23b)quinazoline
385388227
CC1=CC=C(C=C1)C=C2CCCC3=C2N=C4N(C3C5=CC=C(C=C5)C)C(=CS4)C6=CC7=C(C=C6)OCCO7
Cc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc3c(c1)OCCO3)C(=Cc1ccc(cc1)C)CCC2
InChI=1SC33H30N2O2Sc12161023(11721)18264352731(26)343335(32(27)2412822(2)91324)28(203833)2514152930(1925)3717163629h615182032H351617H212H3b2618+
MFCD03285554
ZINC000012321045
ZINC000012321046

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Available files

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