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-(3-bromophenyl)-L-isoleucinamide

Catalog ID
STL551601
SMILES CC[C@H]([C@@H](C(=O)Nc1cccc(c1)Br)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C33H38BrN3O6 MW 652.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H38BrN3O6/c1-7-18(2)30(33(40)36-22-10-8-9-21(34)16-22)37-26-14-12-23-24(17-27(26)39)25(35-19(3)38)13-11-20-15-28(41-4)31(42-5)32(43-6)29(20)23/h8-10,12,14-18,25,30H,7,11,13H2,1-6H3,(H,35,38)(H,36,40)(H,37,39)/t18-,25+,30+/m1/s1
InChIKey
RBSQVULLPBIZKF-SCTSFHSSSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3bromophenyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3bromophenyl)3methylpentanamide
127253941
CC(C@H)((C@@H)(C(=O)Nc1cccc(c1)Br)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC33H38BrN3O6c1718(2)30(33(40)3622108921(34)1622)372614122324(1727(26)39)25(3519(3)38)1311201528(414)31(425)32(436)29(20)23h8101214182530H71113H216H3(H3538)(H3640)(H3739)t1825+30+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3bromophenyl)Lisoleucinamide
ZINC000604404715
ZINC604404715

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Available files

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