Vitas-M small molecule compound

6-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[(2E)-4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2(3H)-ylidene]hexanamide

Catalog ID
STL542856
SMILES COc1ccc2c(c1)c(c[nH]2)c1cs/c(=N/C(=O)CCCCCNc2ccc3c(cc2=O)C(CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)/[nH]1

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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 C39H43N5O7S MW 725.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H43N5O7S/c1-22(45)42-30-13-10-23-17-34(49-3)37(50-4)38(51-5)36(23)25-12-15-31(33(46)19-27(25)30)40-16-8-6-7-9-35(47)44-39-43-32(21-52-39)28-20-41-29-14-11-24(48-2)18-26(28)29/h11-12,14-15,17-21,30,41H,6-10,13,16H2,1-5H3,(H,40,46)(H,42,45)(H,43
InChIKey
QMWZMKBHVKUFCU-UHFFFAOYSA-N
Synonyms

110210526
6((7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((2E)4(5methoxy1Hindol3yl)13thiazol2(3H)ylidene)hexanamide
6((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4(5methoxy1~(H)indol3yl)13thiazol2yl)hexanamide
InChI=1SC39H43N5O7Sc122(45)42301310231734(493)37(504)38(515)36(23)25121531(33(46)1927(25)30)4016867935(47)44394332(215239)28204129141124(482)1826(28)29h1112141517213041H6101316H215H3(H4046)(H4245)(H434447)
MFCD31755724
ZINC000217687591
ZINC000252548841

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.