Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-(((1-hydroxybutan-2-yl)amino)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL562780
SMILES CCC(NCC1C(=O)O[C@H]2[C@@H]1[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C)CO
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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 C19H31NO4 MW 337.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H31NO4/c1-4-12(10-21)20-9-13-15-14(23-17(13)22)8-18(3)7-5-6-11(2)19(18)16(15)24-19/h11-16,20-21H,4-10H2,1-3H3/t11-,12?,13?,14+,15+,16-,18+,19-/m0/s1InChIKey
NYMVCEGUDVJZHD-NZKOZEAPSA-NSynonyms
956965-07-4(1aR2S5aR6aR9S9aR9bS)9(((1hydroxybutan2yl)amino)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
(1R3S4R8R10R14S)5((1hydroxybutan2ylamino)methyl)1014dimethyl27dioxatetracyclo(840013048)tetradecan6one
16398481
956965074
CCC(NCC1C(=O)O(C@H)2(C@@H)1(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C)CO
InChI=1SC19H31NO4c1412(1021)209131514(2317(13)22)818(3)75611(2)19(18)16(15)2419h11162021H410H213H3t1112?13?14+15+1618+19m0s1
MFCD32651359
ZINC000004044508
ZINC000012661697
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