Vitas-M small molecule compound

4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(1-methyl-1H-pyrazol-3-yl)butanamide

Catalog ID
STL543108
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)Nc2ccn(n2)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 C29H35N5O6 MW 549.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N5O6/c1-17(35)31-21-10-8-18-15-24(38-3)28(39-4)29(40-5)27(18)19-9-11-22(23(36)16-20(19)21)30-13-6-7-26(37)32-25-12-14-34(2)33-25/h9,11-12,14-16,21H,6-8,10,13H2,1-5H3,(H,30,36)(H,31,35)(H,32,33,37)/t21-/m0/s1
InChIKey
BJYAAXSFVVKXFR-NRFANRHFSA-N
Synonyms

(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1methyl1Hpyrazol3yl)butanamide
110207903
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1methylpyrazol3yl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1methyl1Hpyrazol3yl)butanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2ccn(n2)C)NC(=O)C)cc(c1OC)OC
InChI=1SC29H35N5O6c117(35)3121108181524(383)28(394)29(405)27(18)1991122(23(36)1620(19)21)30136726(37)3225121434(2)3325h91112141621H681013H215H3(H3036)(H3135)(H323337)t21m0s1
ZINC000253397308
ZINC253397308

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Available files

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