Vitas-M small molecule compound
N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-L-valinamide
Catalog ID
STL542489
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCC2CC3CC2C=C3)C(C)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 C34H43N3O6 MW 589.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H43N3O6/c1-18(2)31(34(40)35-17-23-14-20-7-8-21(23)13-20)37-27-12-10-24-25(16-28(27)39)26(36-19(3)38)11-9-22-15-29(41-4)32(42-5)33(43-6)30(22)24/h7-8,10,12,15-16,18,20-21,23,26,31H,9,11,13-14,17H2,1-6H3,(H,35,40)(H,36,38)(H,37,39)/t20?,21?,23?,InChIKey
NKQWJACPTYVNIQ-BJJMVARHSA-NSynonyms
1574252-39-3(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2bicyclo(221)hept5enylmethyl)3methylbutanamide
(2S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((2R)bicyclo(221)hept5en2ylmethyl)3methylbutanamide
1574252393
75491450
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCC2CC3CC2C=C3)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC34H43N3O6c118(2)31(34(40)35172314207821(23)1320)372712102425(1628(27)39)26(3619(3)38)119221529(414)32(425)33(436)30(22)24h7810121516182021232631H911131417H216H3(H3540)(H3638)(H3739)t20?21?23?2631m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(bicyclo(221)hept5en2ylmethyl)Lvalinamide
ZINC000108448679
ZINC000108448682
Check stock
See real-time availability and sample size for STL542489 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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