Vitas-M small molecule compound
methyl N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-valyl-beta-alaninate
Catalog ID
STL544355
SMILES COC(=O)CCNC(=O)[C@H](C(C)C)Nc1ccc2c(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 C30H39N3O8 MW 569.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39N3O8/c1-16(2)27(30(37)31-13-12-25(36)39-5)33-22-11-9-19-20(15-23(22)35)21(32-17(3)34)10-8-18-14-24(38-4)28(40-6)29(41-7)26(18)19/h9,11,14-16,21,27H,8,10,12-13H2,1-7H3,(H,31,37)(H,32,34)(H,33,35)/t21-,27-/m0/s1InChIKey
OKXNYDBCAQJZPG-IDISGSTGSA-NSynonyms
110206791
COC(=O)CCNC(=O)(C@H)(C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC30H39N3O8c116(2)27(30(37)31131225(36)395)33221191920(1523(22)35)21(3217(3)34)108181424(384)28(406)29(417)26(18)19h91114162127H8101213H217H3(H3137)(H3234)(H3335)t2127m0s1
methyl3(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanoyl)amino)propanoate
methyl3((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamido)propanoate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lvalylbetaalaninate
ZINC000253411281
ZINC253411281
Check stock
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