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-[3-(methylsulfanyl)phenyl]butanamide

Catalog ID
STL548475
SMILES CSc1cccc(c1)NC(=O)CCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C32H37N3O6S MW 591.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37N3O6S/c1-19(36)34-25-13-11-20-16-28(39-2)31(40-3)32(41-4)30(20)23-12-14-26(27(37)18-24(23)25)33-15-7-10-29(38)35-21-8-6-9-22(17-21)42-5/h6,8-9,12,14,16-18,25H,7,10-11,13,15H2,1-5H3,(H,33,37)(H,34,36)(H,35,38)/t25-/m0/s1
InChIKey
HRHHAUYCXBULEA-VWLOTQADSA-N
Synonyms

(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(methylthio)phenyl)butanamide
110206003
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3methylsulfanylphenyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(methylsulfanyl)phenyl)butanamide
CSc1cccc(c1)NC(=O)CCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC32H37N3O6Sc119(36)34251311201628(392)31(403)32(414)30(20)23121426(27(37)1824(23)25)331571029(38)352186922(1721)425h6891214161825H710111315H215H3(H3337)(H3436)(H3538)t25m0s1
ZINC000253404121
ZINC253404121

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Available files

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