Vitas-M small molecule compound
(4E)-4-(3,5,5-trimethylcyclohex-2-en-1-ylidene)-1,2,3,4-tetrahydropyrido[2,1-b][1,3]benzothiazol-10-ium
Catalog ID
STK091547
SMILES CC1=C/C(=C/2\CCC[n+]3c2sc2c3cccc2)/CC(C1)(C)C
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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 C20H24NS MW 310.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24NS/c1-14-11-15(13-20(2,3)12-14)16-7-6-10-21-17-8-4-5-9-18(17)22-19(16)21/h4-5,8-9,11H,6-7,10,12-13H2,1-3H3/q+1/b16-15-InChIKey
JYLPQVBJYGYBRG-NXVVXOECSA-NSynonyms
(4E)4(355trimethylcyclohex2en1ylidene)1234tetrahydropyrido(21b)(13)benzothiazol10ium
(4E)4(355TRIMETHYLCYCLOHEX2EN1YLIDENE)23DIHYDRO1HPYRIDO(21B)(13)BENZOTHIAZOL10IUM
CC1=CC(=C2CCC(N+)3=C2SC4=CC=CC=C43)CC(C1)(C)C
CC1=CC(=C2CCC(n+)3c2sc2c3cccc2)CC(C1)(C)C
InChI=1SC20H24NSc1141115(1320(23)1214)1676102117845918(17)2219(16)21h458911H67101213H213H3q+1b1615
MFCD03447261
STK091547
ZINC000004133427
ZINC04133427
ZINC4133427
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