Vitas-M small molecule compound
3-methyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
Catalog ID
STL539046
SMILES O=C(c1sc2c(c1C)c(=O)n1c(n2)CCC1)NC[C@@H]1CCCN2[C@@H]1CCCC2
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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 C21H28N4O2S MW 400.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O2S/c1-13-17-20(23-16-8-5-11-25(16)21(17)27)28-18(13)19(26)22-12-14-6-4-10-24-9-3-2-7-15(14)24/h14-15H,2-12H2,1H3,(H,22,26)/t14-,15+/m0/s1InChIKey
DEBQZEGGWDIEAL-LSDHHAIUSA-NSynonyms
1435907-20-2~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)4methyl2oxo6thia18diazatricyclo(7300^(37))dodeca3(7)48triene5carboxamide
1435907202
3methylN(((1S9aR)octahydro1Hquinolizin1yl)methyl)4oxo4678tetrahydropyrrolo(12a)thieno(23d)pyrimidine2carboxamide
3methylN((1S9aR)octahydro2Hquinolizin1ylmethyl)4oxo4678tetrahydropyrrolo(12a)thieno(23d)pyrimidine2carboxamide
71754643
InChI=1SC21H28N4O2Sc1131720(2316851125(16)21(17)27)2818(13)19(26)221214641024932715(14)24h1415H212H21H3(H2226)t1415+m0s1
O=C(c1sc2c(c1C)c(=O)n1c(n2)CCC1)NC(C@@H)1CCCN2(C@@H)1CCCC2
ZINC000085876033
ZINC85876033
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