Vitas-M small molecule compound
2-(4-chloro-3-methylphenoxy)-N-(6-{[(1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl]sulfanyl}pyridin-3-yl)acetamide
Catalog ID
STL545395
SMILES O=C(Nc1ccc(nc1)SC[C@@H]1CCCN2[C@@H]1CCCC2)COc1ccc(c(c1)C)Cl
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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 C24H30ClN3O2S MW 460.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30ClN3O2S/c1-17-13-20(8-9-21(17)25)30-15-23(29)27-19-7-10-24(26-14-19)31-16-18-5-4-12-28-11-3-2-6-22(18)28/h7-10,13-14,18,22H,2-6,11-12,15-16H2,1H3,(H,27,29)/t18-,22+/m0/s1InChIKey
TVCYFGCFIIJIEO-PGRDOPGGSA-NSynonyms
~(N)(6(((1~(R)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methylsulfanyl)pyridin3yl)2(4chloro3methylphenoxy)acetamide
100000101
2(4CHLORO3METHYLPHENOXY)N(6((((1R9AR)OCTAHYDRO1HQUINOLIZIN1YL)METHYL)THIO)PYRIDIN3YL)ACETAMIDE
2(4chloro3methylphenoxy)N(6(((1R9aR)octahydro2Hquinolizin1ylmethyl)sulfanyl)pyridin3yl)acetamide
InChI=1SC24H30ClN3O2Sc1171320(8921(17)25)301523(29)271971024(261419)3116185412281132622(18)28h71013141822H2611121516H21H3(H2729)t1822+m0s1
O=C(Nc1ccc(nc1)SC(C@@H)1CCCN2(C@@H)1CCCC2)COc1ccc(c(c1)C)Cl
ZINC000217999473
ZINC217999473
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