Vitas-M small molecule compound

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

Catalog ID
STK055141
SMILES Cc1cccc(c1)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 C22H20N4O2S MW 404.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O2S/c1-12-5-4-6-15(8-12)25-10-23-22-26(11-25)21(28)19(29-22)17-16-9-13(2)7-14(3)18(16)24-20(17)27/h4-9H,10-11H2,1-3H3,(H,24,27)/b19-17-
InChIKey
UEDXCFBFIWFPRF-ZPHPHTNESA-N
Synonyms
732263-03-5
(7Z)7(57DIMETHYL2OXO12DIHYDRO3HINDOL3YLIDENE)3(3METHYLPHENYL)34DIHYDRO2H(13)THIAZOLO(32A)(135)TRIAZIN6(7H)ONE
(7Z)7(57DIMETHYL2OXO1HINDOL3YLIDENE)3(3METHYLPHENYL)24DIHYDRO(13)THIAZOLO(32A)(135)TRIAZIN6ONE
(Z)7(57dimethyl2oxoindolin3ylidene)3(mtolyl)34dihydro2Hthiazolo(32a)(135)triazin6(7H)one
732263035
CC1=CC(=CC=C1)N2CN=C3N(C2)C(=O)C(=C4C5=CC(=CC(=C5NC4=O)C)C)S3
Cc1cccc(c1)N1CN=c2n(C1)c(=O)c(=C1C(=O)Nc3c1cc(C)cc3C)s2
InChI=1SC22H20N4O2Sc11254615(812)2510232226(1125)21(28)19(2922)1716913(2)714(3)18(16)2420(17)27h49H1011H213H3(H2427)b1917
MFCD03675431
STK055141
ZINC000002213793
ZINC02213793
ZINC2213793

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Available files

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