Vitas-M small molecule compound
3-(4-bromophenyl)-6-hydroxy-2-sulfanyl-5-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)pyrimidin-4(3H)-one
Catalog ID
STL528415
SMILES Brc1ccc(cc1)n1c(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 C21H17BrN4O2S MW 469.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN4O2S/c22-11-5-7-12(8-6-11)26-20(28)16(19(27)25-21(26)29)18-17-14(9-10-23-18)13-3-1-2-4-15(13)24-17/h1-8,18,23-24,27H,9-10H2,(H,25,29)InChIKey
MKZZRQXNVHYRSF-UHFFFAOYSA-NSynonyms
3(4bromophenyl)6hydroxy2sulfanyl5(2349tetrahydro1Hbetacarbolin1yl)pyrimidin4(3H)one
InChI=1SC21H17BrN4O2Sc22115712(8611)2620(28)16(19(27)2521(26)29)181714(9102318)13312415(13)2417h1818232427H910H2(H2529)
MFCD04075924
ZINC000002107400
ZINC000002107401
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