Vitas-M small molecule compound
3-{2-[(6R,6aR,13R,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-yl]-2-oxoethyl}-6,7-dimethoxyquinazolin-4(3H)-one
Catalog ID
STL548214
SMILES COc1cc2c(cc1OC)ncn(c2=O)CC(=O)N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31
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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 C27H34N4O4 MW 478.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N4O4/c1-34-23-12-20-21(13-24(23)35-2)28-16-30(27(20)33)15-25(32)31-9-5-6-17-10-18-11-19(26(17)31)14-29-8-4-3-7-22(18)29/h10,12-13,16,18-19,22,26H,3-9,11,14-15H2,1-2H3/t18-,19+,22+,26+/m0/s1InChIKey
NQRDGLVQFVPWOD-KOZCABKTSA-NSynonyms
3(2((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)2oxoethyl)67dimethoxyquinazolin4(3H)one
3(2((6R6aR13R13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)2oxoethyl)67dimethoxyquinazolin4(3H)one
COc1cc2c(cc1OC)ncn(c2=O)CC(=O)N1CCCC2=C(C@H)3C(C@@H)((C@H)12)CN1CCCC(C@H)31
InChI=1SC27H34N4O4c13423122021(1324(23)352)281630(27(20)33)1525(32)319561710181119(26(17)31)1429843722(18)29h1012131618192226H39111415H212H3t1819+22+26+m0s1
ZINC001772492801
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