Vitas-M small molecule compound
3-(2-amino-1,3-thiazol-4-yl)-8-(butoxymethyl)-3-methyl-2,7-dioxaspiro[4.4]nonane-1,6-dione hydrobromide
Catalog ID
STK074747
SMILES CC1(CC2(C(=O)O1)CC(OC2=O)COCCCC)c1csc(n1)N.Br
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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 C16H23BrN2O5S MW 435.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N2O5S.BrH/c1-3-4-5-21-7-10-6-16(12(19)22-10)9-15(2,23-13(16)20)11-8-24-14(17)18-11;/h8,10H,3-7,9H2,1-2H3,(H2,17,18);1HInChIKey
IFNPPOVVHMCUKZ-UHFFFAOYSA-NSynonyms
(4(8(butoxymethyl)3methyl16dioxo27dioxaspiro(44)nonan3yl)13thiazol2yl)azaniumbromide
(5S)3(2aminothiazol4yl)8(butoxymethyl)3methyl27dioxaspiro(44)nonane16dionehydrobromide
3(2AMINO13THIAZOL4YL)8(BUTOXYMETHYL)3METHYL27DIOXASPIRO(44)NONANE16DIONEHYDROBROMIDE
CC1(C(C@@)2(C(=O)O1)CC(OC2=O)COCCCC)c1csc(n1)NBr
CC1(CC2(C(=O)O1)CC(OC2=O)COCCCC)c1csc(n1)NBr
CCCCOCC1CC2(CC(OC2=O)(C)C3=CSC(=N3)(NH3+))C(=O)O1(Br)
InChI=1SC16H22N2O5SBrHc134521710616(12(19)2210)915(22313(16)20)1182414(17)1811h810H379H212H3(H21718)1H
MFCD08672863
STK074747
ZINC000002109440
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