Vitas-M small molecule compound
3-nitro-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
STK575041
SMILES O=C1Oc2ccc(cc2C2C3C4C1C(C(=O)O)C(C4)C3Sc1c2sc(=O)[nH]1)[N+](=O)[O-]
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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 C19H14N2O7S2 MW 446.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N2O7S2/c22-17(23)12-8-4-7-11-10(15-16(29-14(8)11)20-19(25)30-15)6-3-5(21(26)27)1-2-9(6)28-18(24)13(7)12/h1-3,7-8,10-14H,4H2,(H,20,25)(H,22,23)InChIKey
KSKYMHXYFVXPIQ-UHFFFAOYSA-NSynonyms
2nitro612dioxo677a7a1899a111213bdecahydro5oxa1013dithia11aza79methanobenzo(45)cycloocta(123cd)sindacene14carboxylicacid
3nitro612dioxo4b678a91010a10b1112decahydro911methano13oxa58dithia7azabenzo(45)cycloocta(123cd)sindacene14carboxylicacid
C1C2C3C4C1C(C2C(=O)OC5=C(C3C6=C(S4)NC(=O)S6)C=C(C=C5)(N+)(=O)(O))C(=O)O
InChI=1SC19H14N2O7S2c2217(23)128471110(1516(2914(8)11)2019(25)3015)635(21(26)27)129(6)2818(24)13(7)12h13781014H4H2(H2025)(H2223)
MFCD03671782
O=C1Oc2ccc(cc2C2C3C4C1C(C(=O)O)C(C4)C3Sc1c2sc(=O)(nH)1)(N+)(=O)(O)
ZINC000245326486
ZINC000245326492
Check stock
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Check stock on Vitas-MAvailable files
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