Vitas-M small molecule compound
3-hexyl-6-hydroxy-2-sulfanyl-5-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)pyrimidin-4(3H)-one
Catalog ID
STL528398
SMILES CCCCCCn1c(S)nc(c(c1=O)C1NCCc2c1[nH]c1c2cccc1)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 C21H26N4O2S MW 398.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O2S/c1-2-3-4-7-12-25-20(27)16(19(26)24-21(25)28)18-17-14(10-11-22-18)13-8-5-6-9-15(13)23-17/h5-6,8-9,18,22-23,26H,2-4,7,10-12H2,1H3,(H,24,28)InChIKey
IIELFSNHXNFQIU-UHFFFAOYSA-NSynonyms
3hexyl6hydroxy2sulfanyl5(2349tetrahydro1Hbetacarbolin1yl)pyrimidin4(3H)one
InChI=1SC21H26N4O2Sc12347122520(27)16(19(26)2421(25)28)181714(10112218)13856915(13)2317h568918222326H2471012H21H3(H2428)
MFCD04082879
ZINC000017198153
ZINC000017198157
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