Vitas-M small molecule compound
3,4-diethoxybenzoic acid - N-(1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide (1:1)
Catalog ID
STL261028
SMILES CCOc1ccc(cc1OCC)C(=O)O.CCOc1ccc(cc1OCC)C(=O)Nc1nc2c(s1)cccc2
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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 C29H32N2O7S MW 552.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O3S.C11H14O4/c1-3-22-14-10-9-12(11-15(14)23-4-2)17(21)20-18-19-13-7-5-6-8-16(13)24-18;1-3-14-9-6-5-8(11(12)13)7-10(9)15-4-2/h5-11H,3-4H2,1-2H3,(H,19,20,21);5-7H,3-4H2,1-2H3,(H,12,13)InChIKey
CCRBMXZLFVRNBL-UHFFFAOYSA-NSynonyms
1048359-58-51048359585
34diethoxybenzoicacidN(13benzothiazol2yl)34diethoxybenzamide(11)
CCOC1=C(C=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2)OCCCCOC1=C(C=C(C=C1)C(=O)O)OCC
CCOc1ccc(cc1OCC)C(=O)OCCOc1ccc(cc1OCC)C(=O)Nc1nc2c(s1)cccc2
InChI=1SC18H18N2O3SC11H14O4c13221410912(1115(14)2342)17(21)20181913756816(13)241813149658(11(12)13)710(9)1542h511H34H212H3(H192021)57H34H212H3(H1213)
MFCD03614707
N(13benzothiazol2yl)34diethoxybenzamide34diethoxybenzoicacid
ZINC000002729880
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