Vitas-M small molecule compound

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

Catalog ID
STK859889
SMILES Cc1ccc2c(c1)/C(=c\1/sc3=NCN(Cn3c1=O)c1ccc3c(c1)OCO3)/C(=O)N2

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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 C21H16N4O4S MW 420.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O4S/c1-11-2-4-14-13(6-11)17(19(26)23-14)18-20(27)25-9-24(8-22-21(25)30-18)12-3-5-15-16(7-12)29-10-28-15/h2-7H,8-10H2,1H3,(H,23,26)/b18-17-
InChIKey
LAJNKUCTRBMBMA-ZCXUNETKSA-N
Synonyms
840477-89-6
(7Z)3(13benzodioxol5yl)7(5methyl2oxo12dihydro3Hindol3ylidene)34dihydro2H(13)thiazolo(32a)(135)triazin6(7H)one
(7Z)3(13BENZODIOXOL5YL)7(5METHYL2OXO1HINDOL3YLIDENE)24DIHYDRO(13)THIAZOLO(32A)(135)TRIAZIN6ONE
(Z)3(benzo(d)(13)dioxol5yl)7(5methyl2oxoindolin3ylidene)34dihydro2Hthiazolo(32a)(135)triazin6(7H)one
840477896
CC1=CC2=C(C=C1)NC(=O)C2=C3C(=O)N4CN(CN=C4S3)C5=CC6=C(C=C5)OCO6
Cc1ccc2c(c1)C(=c1sc3=NCN(Cn3c1=O)c1ccc3c(c1)OCO3)C(=O)N2
InChI=1SC21H16N4O4Sc111241413(611)17(19(26)2314)1820(27)25924(82221(25)3018)12351516(712)29102815h27H810H21H3(H2326)b1817
MFCD04006228
ZINC000002263318
ZINC02263318
ZINC2263318

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Available files

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