Vitas-M small molecule compound

(2Z)-2-[4-(benzyloxy)-3-methoxybenzylidene]-6-(4-propoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione

Catalog ID
STK819796
SMILES CCCOc1ccc(cc1)Cc1nn2c(nc1=O)s/c(=C\c1ccc(c(c1)OC)OCc1ccccc1)/c2=O

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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 C30H27N3O5S MW 541.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3O5S/c1-3-15-37-23-12-9-20(10-13-23)16-24-28(34)31-30-33(32-24)29(35)27(39-30)18-22-11-14-25(26(17-22)36-2)38-19-21-7-5-4-6-8-21/h4-14,17-18H,3,15-16,19H2,1-2H3/b27-18-
InChIKey
DHEVPYSVZVIUJJ-IMRQLAEWSA-N
Synonyms
620540-32-1
(2Z)2((3METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)6((4PROPOXYPHENYL)METHYL)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(2Z)2(4(benzyloxy)3methoxybenzylidene)6(4propoxybenzyl)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(Z)2(4(benzyloxy)3methoxybenzylidene)6(4propoxybenzyl)2Hthiazolo(32b)(124)triazine37dione
620540321
CCCOC1=CC=C(C=C1)CC2=NN3C(=O)C(=CC4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)SC3=NC2=O
CCCOc1ccc(cc1)Cc1nn2c(nc1=O)sc(=Cc1ccc(c(c1)OC)OCc1ccccc1)c2=O
InChI=1SC30H27N3O5Sc1315372312920(101323)162428(34)313033(3224)29(35)27(3930)1822111425(26(1722)362)3819217546821h4141718H3151619H212H3b2718
MFCD05680767
ZINC000002452011
ZINC2452011

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Available files

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