Vitas-M small molecule compound

N-[(7S)-10-({4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxobutyl}amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL540209
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)N1CCN(CC1)C(=O)c1ccco1)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 C34H40N4O8 MW 632.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H40N4O8/c1-21(39)36-25-11-9-22-19-29(43-2)32(44-3)33(45-4)31(22)23-10-12-26(27(40)20-24(23)25)35-13-5-8-30(41)37-14-16-38(17-15-37)34(42)28-7-6-18-46-28/h6-7,10,12,18-20,25H,5,8-9,11,13-17H2,1-4H3,(H,35,40)(H,36,39)/t25-/m0/s1
InChIKey
VFFGQQZCIHBJFT-VWLOTQADSA-N
Synonyms
1574339-36-8
(S)N(10((4(4(furan2carbonyl)piperazin1yl)4oxobutyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
~(N)((7~(S))10((4(4(furan2carbonyl)piperazin1yl)4oxobutyl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574339368
75491419
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)N1CCN(CC1)C(=O)c1ccco1)NC(=O)C
InChI=1SC34H40N4O8c121(39)3625119221929(432)32(443)33(454)31(22)23101226(27(40)2024(23)25)35135830(41)37141638(171537)34(42)2876184628h671012182025H589111317H214H3(H3540)(H3639)t25m0s1
N((7S)10((4(4(furan2ylcarbonyl)piperazin1yl)4oxobutyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000108448616
ZINC108448616

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Available files

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