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-leucyl-L-tryptophan

Catalog ID
STL547674
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N[C@H](C(=O)O)Cc2c[nH]c3c2cccc3)CC(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 C38H44N4O8 MW 684.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H44N4O8/c1-20(2)15-30(37(45)42-31(38(46)47)16-23-19-39-27-10-8-7-9-24(23)27)41-29-14-12-25-26(18-32(29)44)28(40-21(3)43)13-11-22-17-33(48-4)35(49-5)36(50-6)34(22)25/h7-10,12,14,17-20,28,30-31,39H,11,13,15-16H2,1-6H3,(H,40,43)(H,41,44)(H,42,45)
InChIKey
SZNWNGHOQCCBJK-ASVWTAOFSA-N
Synonyms

(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylpentanoyl)amino)3(1~(H)indol3yl)propanoicacid
(S)2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4methylpentanamido)3(1Hindol3yl)propanoicacid
121542167
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)N(C@H)(C(=O)O)Cc2c(nH)c3c2cccc3)CC(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC38H44N4O8c120(2)1530(37(45)4231(38(46)47)16231939271087924(23)27)412914122526(1832(29)44)28(4021(3)43)1311221733(484)35(495)36(506)34(22)25h7101214172028303139H11131516H216H3(H4043)(H4144)(H4245)(H4647)t283031m0s1
N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LleucylLtryptophan
ZINC000263586366
ZINC263586366

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Available files

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