Vitas-M small molecule compound

4-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-ethyl-5-hydroxyphenyl hexopyranoside

Catalog ID
STL525273
SMILES OCC1OC(Oc2cc(O)c(cc2CC)c2n[nH]cc2c2ccc3c(c2)OCO3)C(C(C1O)O)O

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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 C24H26N2O9 MW 486.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O9/c1-2-11-5-13(20-14(8-25-26-20)12-3-4-16-18(6-12)33-10-32-16)15(28)7-17(11)34-24-23(31)22(30)21(29)19(9-27)35-24/h3-8,19,21-24,27-31H,2,9-10H2,1H3,(H,25,26)
InChIKey
GWCQPUMHZWNQBC-UHFFFAOYSA-N
Synonyms

(2S3R4S5S6R)2(4(4(benzo(d)(13)dioxol5yl)1Hpyrazol3yl)2ethyl5hydroxyphenoxy)6(hydroxymethyl)tetrahydro2Hpyran345triol
2(4(4(13benzodioxol5yl)1~(H)pyrazol5yl)2ethyl5hydroxyphenoxy)6(hydroxymethyl)oxane345triol
4(4(13benzodioxol5yl)1Hpyrazol3yl)2ethyl5hydroxyphenylhexopyranoside
4356306
6(4(13BENZODIOXOL5YL)12DIHYDROPYRAZOL3YLIDENE)4ETHYL3(345TRIHYDROXY6(HYDROXYMETHYL)OXAN2YL)OXYCYCLOHEXA24DIEN1ONE
InChI=1SC24H26N2O9c1211513(2014(8252620)12341618(612)33103216)15(28)717(11)342423(31)22(30)21(29)19(927)3524h381921242731H2910H21H3(H2526)
MFCD00586562
OCC1OC(Oc2cc(O)c(cc2CC)c2n(nH)cc2c2ccc3c(c2)OCO3)C(C(C1O)O)O
ZINC000253499427
ZINC000253499428

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Available files

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