Vitas-M small molecule compound

(7Z)-7-(5,7-dimethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one

Catalog ID
STK859973
SMILES COc1c(OC)cc(cc1OC)N1CN=c2n(C1)c(=O)/c(=C\1/C(=O)Nc3c1cc(C)cc3C)/s2

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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 C24H24N4O5S MW 480.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O5S/c1-12-6-13(2)19-15(7-12)18(22(29)26-19)21-23(30)28-11-27(10-25-24(28)34-21)14-8-16(31-3)20(33-5)17(9-14)32-4/h6-9H,10-11H2,1-5H3,(H,26,29)/b21-18-
InChIKey
AXPBFLKWYVUJMS-UZYVYHOESA-N
Synonyms
498568-99-3
(7Z)7(57dimethyl2oxo12dihydro3Hindol3ylidene)3(345trimethoxyphenyl)34dihydro2H(13)thiazolo(32a)(135)triazin6(7H)one
(7Z)7(57DIMETHYL2OXO1HINDOL3YLIDENE)3(345TRIMETHOXYPHENYL)24DIHYDRO(13)THIAZOLO(32A)(135)TRIAZIN6ONE
(Z)7(57dimethyl2oxoindolin3ylidene)3(345trimethoxyphenyl)34dihydro2Hthiazolo(32a)(135)triazin6(7H)one
498568993
CC1=CC(=C2C(=C1)C(=C3C(=O)N4CN(CN=C4S3)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)N2)C
COc1c(OC)cc(cc1OC)N1CN=c2n(C1)c(=O)c(=C1C(=O)Nc3c1cc(C)cc3C)s2
InChI=1SC24H24N4O5Sc112613(2)1915(712)18(22(29)2619)2123(30)281127(102524(28)3421)14816(313)20(335)17(914)324h69H1011H215H3(H2629)b2118
MFCD03302004
ZINC000002349571
ZINC02349571
ZINC2349571

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.