Vitas-M small molecule compound

ethyl 4-{N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]glycyl}piperazine-1-carboxylate

Catalog ID
STL541911
SMILES CCOC(=O)N1CCN(CC1)C(=O)CNc1ccc2c(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 C30H38N4O8 MW 582.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N4O8/c1-6-42-30(38)34-13-11-33(12-14-34)26(37)17-31-23-10-8-20-21(16-24(23)36)22(32-18(2)35)9-7-19-15-25(39-3)28(40-4)29(41-5)27(19)20/h8,10,15-16,22H,6-7,9,11-14,17H2,1-5H3,(H,31,36)(H,32,35)/t22-/m0/s1
InChIKey
AQLFKGIIQQCYJE-QFIPXVFZSA-N
Synonyms
1574378-24-7
(S)ethyl4(2((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)acetyl)piperazine1carboxylate
1574378247
75492319
CCOC(=O)N1CCN(CC1)C(=O)CNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
ethyl4(2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)acetyl)piperazine1carboxylate
ethyl4(N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)glycyl)piperazine1carboxylate
InChI=1SC30H38N4O8c164230(38)34131133(121434)26(37)1731231082021(1624(23)36)22(3218(2)35)97191525(393)28(404)29(415)27(19)20h810151622H679111417H215H3(H3136)(H3235)t22m0s1
ZINC000108450823
ZINC108450823

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Available files

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