Vitas-M small molecule compound
2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,3a,4,5-tetrahydro-2H-[1,3]benzodioxolo[5,6-g]indazole-4-carboxylic acid
Catalog ID
STL473074
SMILES COc1c(OC)cc(cc1OC)C1C(C(=O)O)C2CN(N=C2c2c1cc1OCOc1c2)c1ccccc1
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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 C28H26N2O7 MW 502.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O7/c1-33-22-9-15(10-23(34-2)27(22)35-3)24-17-11-20-21(37-14-36-20)12-18(17)26-19(25(24)28(31)32)13-30(29-26)16-7-5-4-6-8-16/h4-12,19,24-25H,13-14H2,1-3H3,(H,31,32)InChIKey
QCYIDHCGZBASQZ-UHFFFAOYSA-NSynonyms
(4R5R)2phenyl5(345trimethoxyphenyl)33a45tetrahydro2H(13)dioxolo(4545)benzo(12g)indazole4carboxylicacid
2phenyl5(345trimethoxyphenyl)33a45tetrahydro(13)benzodioxolo(65g)indazole4carboxylicacid
2phenyl5(345trimethoxyphenyl)33a45tetrahydro2H(13)benzodioxolo(56g)indazole4carboxylicacid
COC1=CC(=CC(=C1OC)OC)C2C(C3CN(N=C3C4=CC5=C(C=C24)OCO5)C6=CC=CC=C6)C(=O)O
COc1c(OC)cc(cc1OC)(C@H)1(C@@H)(C(=O)O)C2CN(N=C2c2c1cc1OCOc1c2)c1ccccc1
InChI=1SC28H26N2O7c13322915(1023(342)27(22)353)2417112021(37143620)1218(17)2619(25(24)28(31)32)1330(2926)167546816h412192425H1314H213H3(H3132)
MFCD31751216
ZINC000004742649
ZINC000170622068
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