Vitas-M small molecule compound
N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-valyl-L-valine
Catalog ID
STL544723
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)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 C31H41N3O8 MW 583.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H41N3O8/c1-15(2)26(30(37)34-27(16(3)4)31(38)39)33-22-12-10-19-20(14-23(22)36)21(32-17(5)35)11-9-18-13-24(40-6)28(41-7)29(42-8)25(18)19/h10,12-16,21,26-27H,9,11H2,1-8H3,(H,32,35)(H,33,36)(H,34,37)(H,38,39)/t21-,26-,27-/m0/s1InChIKey
WFWWSOQEOLQCNT-PUUVEUEGSA-NSynonyms
(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanoyl)amino)3methylbutanoicacid
(S)2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamido)3methylbutanoicacid
110206996
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)N(C@H)(C(=O)O)C(C)C)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC31H41N3O8c115(2)26(30(37)3427(16(3)4)31(38)39)332212101920(1423(22)36)21(3217(5)35)119181324(406)28(417)29(428)25(18)19h101216212627H911H218H3(H3235)(H3336)(H3437)(H3839)t212627m0s1
N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LvalylLvaline
ZINC000253414020
ZINC253414020
Check stock
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Check stock on Vitas-MAvailable files
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