Vitas-M small molecule compound

N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(hydroxymethyl)-1H-benzimidazol-6-yl]leucinamide

Catalog ID
STL549009
SMILES COc1c2c(CCC(c3c2ccc(c(=O)c3)NC(C(=O)Nc2ccc3c(c2)[nH]c(n3)CO)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 C35H41N5O7 MW 643.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N5O7/c1-18(2)13-28(35(44)37-21-8-11-25-27(15-21)40-31(17-41)39-25)38-26-12-9-22-23(16-29(26)43)24(36-19(3)42)10-7-20-14-30(45-4)33(46-5)34(47-6)32(20)22/h8-9,11-12,14-16,18,24,28,41H,7,10,13,17H2,1-6H3,(H,36,42)(H,37,44)(H,38,43)(H,39,40)
InChIKey
HDMRMQAQSZTYMH-UHFFFAOYSA-N
Synonyms

(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(hydroxymethyl)1Hbenzo(d)imidazol5yl)4methylpentanamide
122169707
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(hydroxymethyl)3~(H)benzimidazol5yl)4methylpentanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2ccc3c(c2)nc((nH)3)CO)CC(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC35H41N5O7c118(2)1328(35(44)37218112527(1521)4031(1741)3925)38261292223(1629(26)43)24(3619(3)42)107201430(454)33(465)34(476)32(20)22h891112141618242841H7101317H216H3(H3642)(H3744)(H3843)(H3940)
MFCD31756851
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(hydroxymethyl)1Hbenzimidazol6yl)leucinamide
ZINC000263585304
ZINC000409413954

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Available files

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