Vitas-M small molecule compound
4-(1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-5-ium-11-yl)-2-iodo-6-methoxyphenolate
Catalog ID
STK562271
SMILES COc1cc(cc(c1[O-])I)C1Nc2ccccc2[NH+]=C2C1=C(O)CC(C2)(C)C
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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 C22H23IN2O3 MW 490.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23IN2O3/c1-22(2)10-16-19(17(26)11-22)20(25-15-7-5-4-6-14(15)24-16)12-8-13(23)21(27)18(9-12)28-3/h4-9,20,25-27H,10-11H2,1-3H3InChIKey
MIXDCSSDPOIXTC-UHFFFAOYSA-NSynonyms
4(1hydroxy33dimethyl341011tetrahydro2Hdibenzo(be)(14)diazepin5ium11yl)2iodo6methoxyphenolate
COc1cc(cc(c1(O))I)C1Nc2ccccc2(NH+)=C2C1=C(O)CC(C2)(C)C
MFCD01947804
ZINC000100716869
ZINC000100716873
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