Vitas-M small molecule compound

6-chloro-7-{2-[(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)-yl]-2-oxoethoxy}-4-methyl-2H-chromen-2-one

Catalog ID
STL544029
SMILES O=C(N1CCCC2=C[C@@H]3C[C@H](C12)CN1CCCCC31)COc1cc2oc(=O)cc(c2cc1Cl)C

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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 C27H31ClN2O4 MW 483.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31ClN2O4/c1-16-9-26(32)34-23-13-24(21(28)12-20(16)23)33-15-25(31)30-8-4-5-17-10-18-11-19(27(17)30)14-29-7-3-2-6-22(18)29/h9-10,12-13,18-19,22,27H,2-8,11,14-15H2,1H3/t18-,19+,22?,27?/m0/s1
InChIKey
GOWOSOWXNODCBF-MPEKWGRDSA-N
Synonyms

6chloro7(2((6R)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)2oxoethoxy)4methyl2Hchromen2one
6chloro7(2((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)2oxoethoxy)4methyl2Hchromen2one
InChI=1SC27H31ClN2O4c116926(32)34231324(21(28)1220(16)23)331525(31)308451710181119(27(17)30)1429732622(18)29h910121318192227H28111415H21H3t1819+22?27?m0s1
O=C(N1CCCC2=C(C@H)3C(C@@H)((C@H)12)CN1CCCC(C@H)31)COc1cc2oc(=O)cc(c2cc1Cl)C
ZINC000225420198
ZINC000252515064

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Available files

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