Vitas-M small molecule compound
3-[(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL476440
SMILES O=C(N1CC2CC(C1)c1n(C2)c(=O)ccc1)Cn1cnc2c(c1=O)cc(s2)c1ccccc1
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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 C25H22N4O3S MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O3S/c30-22-8-4-7-20-18-9-16(12-29(20)22)11-27(13-18)23(31)14-28-15-26-24-19(25(28)32)10-21(33-24)17-5-2-1-3-6-17/h1-8,10,15-16,18H,9,11-14H2InChIKey
GEYAUXNHGCHBAD-UHFFFAOYSA-NSynonyms
3((4oxo6phenylthieno(23d)pyrimidin3(4H)yl)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
3(2oxo2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)ethyl)6phenylthieno(23d)pyrimidin4(3H)one
C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=O)CN4C=NC5=C(C4=O)C=C(S5)C6=CC=CC=C6
InChI=1SC25H22N4O3Sc30228472018916(1229(20)22)1127(1318)23(31)142815262419(25(28)32)1021(3324)175213617h1810151618H91114H2
MFCD31751359
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cn1cnc2c(c1=O)cc(s2)c1ccccc1
ZINC000225415527
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