Vitas-M small molecule compound
(7Z)-3-(1,3-benzodioxol-5-yl)-7-(5,7-dimethyl-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
STK724949
SMILES Cc1cc(C)c2c(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 C22H18N4O4S MW 434.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O4S/c1-11-5-12(2)18-14(6-11)17(20(27)24-18)19-21(28)26-9-25(8-23-22(26)31-19)13-3-4-15-16(7-13)30-10-29-15/h3-7H,8-10H2,1-2H3,(H,24,27)/b19-17-InChIKey
LNERPWLTSIZMKQ-ZPHPHTNESA-NSynonyms
840474-24-0(7Z)3(13benzodioxol5yl)7(57dimethyl2oxo12dihydro3Hindol3ylidene)34dihydro2H(13)thiazolo(32a)(135)triazin6(7H)one
(7Z)3(13BENZODIOXOL5YL)7(57DIMETHYL2OXO1HINDOL3YLIDENE)24DIHYDRO(13)THIAZOLO(32A)(135)TRIAZIN6ONE
(Z)3(benzo(d)(13)dioxol5yl)7(57dimethyl2oxoindolin3ylidene)34dihydro2Hthiazolo(32a)(135)triazin6(7H)one
840474240
CC1=CC(=C2C(=C1)C(=C3C(=O)N4CN(CN=C4S3)C5=CC6=C(C=C5)OCO6)C(=O)N2)C
Cc1cc(C)c2c(c1)C(=c1sc3=NCN(Cn3c1=O)c1ccc3c(c1)OCO3)C(=O)N2
InChI=1SC22H18N4O4Sc111512(2)1814(611)17(20(27)2418)1921(28)26925(82322(26)3119)13341516(713)30102915h37H810H212H3(H2427)b1917
MFCD04005822
ZINC000009465428
ZINC09465428
ZINC9465428
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