Vitas-M small molecule compound
3-(2-{[(4-hydroxy-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}ethyl)-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxamide
Catalog ID
STL568014
SMILES NC(=O)C1C2CC(N(C1=O)CCSCc1nc(O)c3c(n1)sc1c3CCC1)(C)Oc1c2cccc1
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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 C25H26N4O4S2 MW 510.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O4S2/c1-25-11-15(13-5-2-3-7-16(13)33-25)19(21(26)30)24(32)29(25)9-10-34-12-18-27-22(31)20-14-6-4-8-17(14)35-23(20)28-18/h2-3,5,7,15,19H,4,6,8-12H2,1H3,(H2,26,30)(H,27,28,31)InChIKey
NBZZSPHYQMFMLW-UHFFFAOYSA-NSynonyms
128962692
3(2(((4hydroxy67dihydro5Hcyclopenta(45)thieno(23d)pyrimidin2yl)methyl)sulfanyl)ethyl)2methyl4oxo3456tetrahydro2H26methano13benzoxazocine5carboxamide
9methyl11oxo10(2((12oxo7thia911diazatricyclo(640026)dodeca1(8)2(6)9trien10yl)methylsulfanyl)ethyl)8oxa10azatricyclo(731027)trideca246triene12carboxamide
InChI=1SC25H26N4O4S2c1251115(13523716(13)3325)19(21(26)30)24(32)29(25)9103412182722(31)201464817(14)3523(20)2818h23571519H46812H21H3(H22630)(H272831)
MFCD32653162
ZINC000524732777
ZINC000524732778
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