Vitas-M small molecule compound
tert-butyl 4-{N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-alanyl}piperazine-1-carboxylate
Catalog ID
STL541082
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)N[C@H](C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)C)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 C33H44N4O8 MW 624.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N4O8/c1-19(31(40)36-13-15-37(16-14-36)32(41)45-33(3,4)5)34-25-12-10-22-23(18-26(25)39)24(35-20(2)38)11-9-21-17-27(42-6)29(43-7)30(44-8)28(21)22/h10,12,17-19,24H,9,11,13-16H2,1-8H3,(H,34,39)(H,35,38)/t19-,24-/m0/s1InChIKey
DUCFLEQGLHSAPU-CYFREDJKSA-NSynonyms
1574379-35-3~(tert)butyl4((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)propanoyl)piperazine1carboxylate
1574379353
75491068
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)N(C@H)(C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)C)NC(=O)C
InChI=1SC33H44N4O8c119(31(40)36131537(161436)32(41)4533(34)5)342512102223(1826(25)39)24(3520(2)38)119211727(426)29(437)30(448)28(21)22h1012171924H9111316H218H3(H3439)(H3538)t1924m0s1
tertbutyl4((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)propanoyl)piperazine1carboxylate
tertbutyl4(N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lalanyl)piperazine1carboxylate
ZINC000108447595
ZINC108447595
Check stock
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Check stock on Vitas-MAvailable files
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