Vitas-M small molecule compound
(1S,5R)-3-[(2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)acetyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL550300
SMILES O=C(N1C[C@H]2C[C@@H](C1)C1N(C2)C(=O)CCC1)Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1c1ccccc1)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 C33H34N2O5 MW 538.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N2O5/c1-18-24-13-26-30(22-8-5-4-6-9-22)20(3)39-32(26)19(2)31(24)40-33(38)25(18)14-29(37)34-15-21-12-23(17-34)27-10-7-11-28(36)35(27)16-21/h4-6,8-9,13,21,23,27H,7,10-12,14-17H2,1-3H3/t21-,23+,27?/m1/s1InChIKey
CXINGTYIJKEPNF-VZLBMEDKSA-NSynonyms
(1~(S)9~(R))11(2(259trimethyl7oxo3phenylfuro(32g)chromen6yl)acetyl)711diazatricyclo(7310^(27))tridecan6one
(1R5S)3(2(259trimethyl7oxo3phenyl7Hfuro(32g)chromen6yl)acetyl)octahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((259trimethyl7oxo3phenyl7Hfuro(32g)chromen6yl)acetyl)decahydro8H15methanopyrido(12a)(15)diazocin8one
135639893
InChI=1SC33H34N2O5c11824132630(228546922)20(3)3932(26)19(2)31(24)4033(38)25(18)1429(37)3415211223(1734)271071128(36)35(27)1621h468913212327H710121417H213H3t2123+27?m1s1
ZINC000604404135
ZINC000604404136
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