Vitas-M small molecule compound
6-chloro-3-{2-[(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)-yl]-2-oxoethyl}-7-methoxy-4-methyl-2H-chromen-2-one
Catalog ID
STL535093
SMILES COc1cc2oc(=O)c(c(c2cc1Cl)C)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 C28H33ClN2O4 MW 497.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33ClN2O4/c1-16-20-12-22(29)25(34-2)14-24(20)35-28(33)21(16)13-26(32)31-9-5-6-17-10-18-11-19(27(17)31)15-30-8-4-3-7-23(18)30/h10,12,14,18-19,23,27H,3-9,11,13,15H2,1-2H3/t18-,19+,23+,27+/m0/s1InChIKey
DCAAXUCSLBNEQL-PQWVSTDZSA-NSynonyms
6chloro3(2((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocin1yl)2oxoethyl)7methoxy4methyl2Hchromen2one
6chloro3(2((6R6aR13S13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)yl)2oxoethyl)7methoxy4methyl2Hchromen2one
COc1cc2oc(=O)c(c(c2cc1Cl)C)CC(=O)N1CCCC2=C(C@H)3C(C@H)((C@H)12)CN1CCCC(C@H)31
InChI=1SC28H33ClN2O4c116201222(29)25(342)1424(20)3528(33)21(16)1326(32)319561710181119(27(17)31)1530843723(18)30h10121418192327H39111315H212H3t1819+23+27+m0s1
MFCD08742519
ZINC000100787400
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