Vitas-M small molecule compound
6'-methyl-7'-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-one
Catalog ID
STK620674
SMILES O=C(N1CCN(CC1)c1ncccn1)Cc1c(=O)oc2c(c1C)cc1c(c2)OC2(CC1)CCCCC2
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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 C28H32N4O4 MW 488.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O4/c1-19-21-16-20-6-9-28(7-3-2-4-8-28)36-23(20)18-24(21)35-26(34)22(19)17-25(33)31-12-14-32(15-13-31)27-29-10-5-11-30-27/h5,10-11,16,18H,2-4,6-9,12-15,17H2,1H3InChIKey
VGNWJJZWSRFSSS-UHFFFAOYSA-NSynonyms
931211-84-66methyl7(2oxo2(4(pyrimidin2yl)piperazin1yl)ethyl)34dihydro8Hspiro(cyclohexane12pyrano(32g)chromen)8one
6methyl7(2oxo2(4(pyrimidin2yl)piperazin1yl)ethyl)3Hspiro(cyclohexane12pyrano(32g)chromen)8(4H)one
6methyl7(2oxo2(4pyrimidin2ylpiperazin1yl)ethyl)spiro(34dihydropyrano(32g)chromene21cyclohexane)8one
931211846
CC1=C(C(=O)OC2=CC3=C(CCC4(O3)CCCCC4)C=C12)CC(=O)N5CCN(CC5)C6=NC=CC=N6
InChI=1SC28H32N4O4c1192116206928(7324828)3623(20)1824(21)3526(34)22(19)1725(33)31121432(151331)2729105113027h510111618H2469121517H21H3
ZINC000009184466
ZINC09184466
ZINC9184466
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