Vitas-M small molecule compound
methyl {6-chloro-8-[(6R,6aR,13S,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)-ylmethyl]-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl}acetate
Catalog ID
STL546847
SMILES COC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2CN1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31)O)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 C29H35ClN2O5 MW 527.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35ClN2O5/c1-16-20-12-23(30)27(34)22(28(20)37-29(35)21(16)13-25(33)36-2)15-32-9-5-6-17-10-18-11-19(26(17)32)14-31-8-4-3-7-24(18)31/h10,12,18-19,24,26,34H,3-9,11,13-15H2,1-2H3/t18-,19+,24+,26+/m0/s1InChIKey
BLXVPVHYARHCKD-MRFBIOCZSA-NSynonyms
COC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2CN1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31)O)Cl
InChI=1SC29H35ClN2O5c116201223(30)27(34)22(28(20)3729(35)21(16)1325(33)362)15329561710181119(26(17)32)1431843724(18)31h10121819242634H39111315H212H3t1819+24+26+m0s1
methyl(6chloro8((6R6aR13S13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)ylmethyl)7hydroxy4methyl2oxo2Hchromen3yl)acetate
methyl2(6chloro8(((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)methyl)7hydroxy4methyl2oxo2Hchromen3yl)acetate
ZINC000409413082
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