Vitas-M small molecule compound
2-(ethoxycarbonyl)-1,2,3,4,4a,11a-hexahydro-1,4-methano[1,3]benzothiazolo[2,3-b][1,3]benzothiazol-11-ium
Catalog ID
STK870421
SMILES CCOC(=O)C1CC2CC1C1C2Sc2[n+]1c1ccccc1s2
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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 C17H18NO2S2 MW 332.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18NO2S2/c1-2-20-16(19)11-8-9-7-10(11)14-15(9)22-17-18(14)12-5-3-4-6-13(12)21-17/h3-6,9-11,14-15H,2,7-8H2,1H3/q+1InChIKey
AROLTBNMSLZXFH-UHFFFAOYSA-NSynonyms
2(ethoxycarbonyl)12344a11ahexahydro14methano(13)benzothiazolo(23b)(13)benzothiazol11ium
CCOC(=O)C1CC2CC1C1C2Sc2(n+)1c1ccccc1s2
CCOC(=O)C1CC2CC1C3C2SC4=(N+)3C5=CC=CC=C5S4
InChI=1SC17H18NO2S2c122016(19)1189710(11)1415(9)221718(14)12534613(12)2117h369111415H278H21H3q+1
ZINC000248239931
ZINC000248239940
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