Vitas-M small molecule compound
3-(butan-2-yl)-2-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Catalog ID
STL093821
SMILES CCC(n1c(SCC(=O)N2CCN(CC2)c2ccc(cc2)OC)nc2c(c1=O)[nH]c(c2)C)C
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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 C24H31N5O3S MW 469.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N5O3S/c1-5-17(3)29-23(31)22-20(14-16(2)25-22)26-24(29)33-15-21(30)28-12-10-27(11-13-28)18-6-8-19(32-4)9-7-18/h6-9,14,17,25H,5,10-13,15H2,1-4H3InChIKey
FCMRYJKRSYYPSP-UHFFFAOYSA-NSynonyms
3(butan2yl)2((2(4(4methoxyphenyl)piperazin1yl)2oxoethyl)sulfanyl)6methyl35dihydro4Hpyrrolo(32d)pyrimidin4one
3butan2yl2(2(4(4methoxyphenyl)piperazin1yl)2oxoethyl)sulfanyl6methyl5Hpyrrolo(32d)pyrimidin4one
CCC(C)N1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC
CCC(n1c(SCC(=O)N2CCN(CC2)c2ccc(cc2)OC)nc2c(c1=O)(nH)c(c2)C)C
InChI=1SC24H31N5O3Sc1517(3)2923(31)2220(1416(2)2522)2624(29)331521(30)28121027(111328)186819(324)9718h69141725H5101315H214H3
MFCD18787955
ZINC000067239109
ZINC000067239110
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