Vitas-M small molecule compound
1-methoxy-6,12-dioxo-4b,6,7,8a,9,10,10a,10b,11,12-decahydro-9,11-methano-13-oxa-5,8-dithia-7-azabenzo[4,5]cycloocta[1,2,3-cd]-s-indacene-14-carboxylic acid
Catalog ID
STK571320
SMILES COc1cccc2c1OC(=O)C1C(C(=O)O)C3C4C(C2c2sc(=O)[nH]c2S4)C1C3
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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 C20H17NO6S2 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO6S2/c1-26-9-4-2-3-6-10-11-7-5-8(15(11)28-17-16(10)29-20(25)21-17)12(18(22)23)13(7)19(24)27-14(6)9/h2-4,7-8,10-13,15H,5H2,1H3,(H,21,25)(H,22,23)InChIKey
LETQKJKEXLWDSX-UHFFFAOYSA-NSynonyms
1methoxy612dioxo4b678a91010a10b1112decahydro911methano13oxa58dithia7azabenzo(45)cycloocta(123cd)sindacene14carboxylicacid
4methoxy612dioxo677a7a1899a111213bdecahydro5oxa1013dithia11aza79methanobenzo(45)cycloocta(123cd)sindacene14carboxylicacid
COC1=CC=CC2=C1OC(=O)C3C4CC(C3C(=O)O)C5C4C2C6=C(S5)NC(=O)S6
COc1cccc2c1OC(=O)C1C(C(=O)O)C3C4C(C2c2sc(=O)(nH)c2S4)C1C3
InChI=1SC20H17NO6S2c126942361011758(15(11)281716(10)2920(25)2117)12(18(22)23)13(7)19(24)2714(6)9h2478101315H5H21H3(H2125)(H2223)
MFCD03669512
ZINC000169694495
ZINC000239338778
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Check stock on Vitas-MAvailable files
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