Vitas-M small molecule compound
(4R,7S)-7-(3,4-dimethoxyphenyl)-3-hydroxy-4-(2,3,4-trimethoxyphenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK334427
SMILES COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1c([C@H]2c2ccc(c(c2OC)OC)OC)c(n[nH]1)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 C27H29N3O7 MW 507.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O7/c1-33-18-8-6-13(12-20(18)35-3)14-10-16-22(17(31)11-14)21(23-26(28-16)29-30-27(23)32)15-7-9-19(34-2)25(37-5)24(15)36-4/h6-9,12,14,21H,10-11H2,1-5H3,(H3,28,29,30,32)/t14-,21-/m0/s1InChIKey
GJQSNYARVQLHHC-QKKBWIMNSA-NSynonyms
(4R7S)7(34dimethoxyphenyl)3hydroxy4(234trimethoxyphenyl)146789hexahydro5Hpyrazolo(34b)quinolin5one
(4S7S)7(34dimethoxyphenyl)4(234trimethoxyphenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=C(C=C(C=C1)C2CC3=C(C(C4=C(N3)NNC4=O)C5=C(C(=C(C=C5)OC)OC)OC)C(=O)C2)OC
COc1ccc(cc1OC)(C@@H)1CC(=O)C2=C(C1)Nc1c((C@H)2c2ccc(c(c2OC)OC)OC)c(n(nH)1)O
InChI=1SC27H29N3O7c133188613(1220(18)353)14101622(17(31)1114)21(2326(2816)293027(23)32)157919(342)25(375)24(15)364h69121421H1011H215H3(H328293032)t1421m0s1
MFCD13368712
ZINC000018197099
ZINC18197099
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