Vitas-M small molecule compound
ethyl 4-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]piperazine-1-carboxylate
Catalog ID
STL529052
SMILES CCOC(=O)N1CCN(CC1)c1ccc2c(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 C28H35N3O7 MW 525.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O7/c1-6-38-28(34)31-13-11-30(12-14-31)22-10-8-19-20(16-23(22)33)21(29-17(2)32)9-7-18-15-24(35-3)26(36-4)27(37-5)25(18)19/h8,10,15-16,21H,6-7,9,11-14H2,1-5H3,(H,29,32)/t21-/m0/s1InChIKey
FGXJMTJPMFNIPL-NRFANRHFSA-NSynonyms
1173683-54-9(S)ethyl4(7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)piperazine1carboxylate
1173683549
16402763
CCOC(=O)N1CCN(CC1)c1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
ethyl4((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)piperazine1carboxylate
ethyl4((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)piperazine1carboxylate
InChI=1SC28H35N3O7c163828(34)31131130(121431)221081920(1623(22)33)21(2917(2)32)97181524(353)26(364)27(375)25(18)19h810151621H6791114H215H3(H2932)t21m0s1
ZINC000008789088
ZINC8789088
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