Vitas-M small molecule compound

(7Z)-3-(1,3-benzodioxol-5-yl)-7-(5-chloro-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
STL059513
SMILES Clc1ccc2c(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 C20H13ClN4O4S MW 440.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13ClN4O4S/c21-10-1-3-13-12(5-10)16(18(26)23-13)17-19(27)25-8-24(7-22-20(25)30-17)11-2-4-14-15(6-11)29-9-28-14/h1-6H,7-9H2,(H,23,26)/b17-16-
InChIKey
UIMPPTFXLJHLKW-MSUUIHNZSA-N
Synonyms
510721-32-1
(7Z)3(13benzodioxol5yl)7(5chloro2oxo12dihydro3Hindol3ylidene)34dihydro2H(13)thiazolo(32a)(135)triazin6(7H)one
(7Z)3(13BENZODIOXOL5YL)7(5CHLORO2OXO1HINDOL3YLIDENE)24DIHYDRO(13)THIAZOLO(32A)(135)TRIAZIN6ONE
(Z)3(benzo(d)(13)dioxol5yl)7(5chloro2oxoindolin3ylidene)34dihydro2Hthiazolo(32a)(135)triazin6(7H)one
3(2HBENZO(34D)13DIOXOLEN5YL)7(5CHLORO2OXO(1HBENZO(D)AZOLIN3YLIDENE))2H4H13THIAZOLIDINO(32E)135TRIAZIN6ONE
510721321
C1N=C2N(CN1C3=CC4=C(C=C3)OCO4)C(=O)C(=C5C6=C(C=CC(=C6)Cl)NC5=O)S2
Clc1ccc2c(c1)C(=c1sc3=NCN(Cn3c1=O)c1ccc3c(c1)OCO3)C(=O)N2
InChI=1SC20H13ClN4O4Sc2110131312(510)16(18(26)2313)1719(27)25824(72220(25)3017)11241415(611)2992814h16H79H2(H2326)b1716
MFCD03446178
ZINC000000783138
ZINC00783138
ZINC783138

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Available files

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