Vitas-M small molecule compound
7-[(6R)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-ylcarbonyl]-5-ethyl[1,3]dioxolo[4,5-g]quinolin-8(5H)-one
Catalog ID
STL545616
SMILES CCn1cc(C(=O)N2CCCC3=C[C@@H]4C[C@H](C23)CN2CCCCC42)c(=O)c2c1cc1OCOc1c2
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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 C28H33N3O4 MW 475.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O4/c1-2-29-15-21(27(32)20-12-24-25(13-23(20)29)35-16-34-24)28(33)31-9-5-6-17-10-18-11-19(26(17)31)14-30-8-4-3-7-22(18)30/h10,12-13,15,18-19,22,26H,2-9,11,14,16H2,1H3/t18-,19+,22?,26?/m0/s1InChIKey
HJDYTPQRSBDNJD-WNOZVINMSA-NSynonyms
7((6R)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)ylcarbonyl)5ethyl(13)dioxolo(45g)quinolin8(5H)one
7((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocine1carbonyl)5ethyl(13)dioxolo(45g)quinolin8(5H)one
CCn1cc(C(=O)N2CCCC3=C(C@H)4C(C@@H)((C@@H)23)CN2CCCC(C@@H)42)c(=O)c2c1cc1OCOc1c2
InChI=1SC28H33N3O4c12291521(27(32)20122425(1323(20)29)35163424)28(33)319561710181119(26(17)31)1430843722(18)30h1012131518192226H29111416H21H3t1819+22?26?m0s1
ZINC000230278591
ZINC000252515128
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