Vitas-M small molecule compound
4-amino-6-(3,4,5-trimethoxyphenyl)spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile
Catalog ID
STK523703
SMILES COc1cc(cc(c1OC)OC)C1C2(C1(C#N)C(=NC12OCCO1)N)C#N
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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 C18H18N4O5 MW 370.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O5/c1-23-11-6-10(7-12(24-2)13(11)25-3)14-16(8-19)15(21)22-18(17(14,16)9-20)26-4-5-27-18/h6-7,14H,4-5H2,1-3H3,(H2,21,22)InChIKey
VSRDQHXHHJCZMQ-UHFFFAOYSA-NSynonyms
2AMINO6(345TRIMETHOXYPHENYL)SPIRO(13DIOXOLANE243AZABICYCLO(310)HEX2ENE)15DICARBONITRILE
4amino6(345trimethoxyphenyl)spiro(13dioxolane223azabicyclo(310)hex3ene)15dicarbonitrile
4amino6(345trimethoxyphenyl)spiro(3azabicyclo(310)hex3ene22(13)dioxolane)15dicarbonitrile
COC1=CC(=CC(=C1OC)OC)C2C3(C2(C4(N=C3N)OCCO4)C#N)C#N
InChI=1SC18H18N4O5c12311610(712(242)13(11)253)1416(819)15(21)2218(17(1416)920)26452718h6714H45H213H3(H22122)
MFCD04097190
ZINC000015023809
ZINC000103029556
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