Vitas-M small molecule compound

N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-L-leucinamide

Catalog ID
STL548318
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NC[C@@H]2CCCN3[C@@H]2CCCC3)CC(C)C)NC(=O)C)cc(c1OC)OC

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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 C37H52N4O6 MW 648.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H52N4O6/c1-22(2)18-30(37(44)38-21-25-10-9-17-41-16-8-7-11-31(25)41)40-29-15-13-26-27(20-32(29)43)28(39-23(3)42)14-12-24-19-33(45-4)35(46-5)36(47-6)34(24)26/h13,15,19-20,22,25,28,30-31H,7-12,14,16-18,21H2,1-6H3,(H,38,44)(H,39,42)(H,40,43)/t25-,
InChIKey
MINXMYCTIBZHJO-UPDCLGQQSA-N
Synonyms

(2~(S))~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylpentanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4methylN(((1S9aR)octahydro1Hquinolizin1yl)methyl)pentanamide
121541584
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NC(C@@H)2CCCN3(C@@H)2CCCC3)CC(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC37H52N4O6c122(2)1830(37(44)382125109174116871131(25)41)402915132627(2032(29)43)28(3923(3)42)1412241933(454)35(465)36(476)34(24)26h131519202225283031H71214161821H216H3(H3844)(H3942)(H4043)t25283031+m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1S9aR)octahydro2Hquinolizin1ylmethyl)Lleucinamide
ZINC000263585779
ZINC263585779

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Available files

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