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-1H-pyrazol-4-yl-L-methioninamide
Catalog ID
STL551102
SMILES CSCC[C@@H](C(=O)Nc1c[nH]nc1)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 C29H35N5O6S MW 581.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N5O6S/c1-16(35)32-21-8-6-17-12-25(38-2)27(39-3)28(40-4)26(17)19-7-9-22(24(36)13-20(19)21)34-23(10-11-41-5)29(37)33-18-14-30-31-15-18/h7,9,12-15,21,23H,6,8,10-11H2,1-5H3,(H,30,31)(H,32,35)(H,33,37)(H,34,36)/t21-,23-/m0/s1InChIKey
KBAYSVZOGJIQDX-GMAHTHKFSA-NSynonyms
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)(1~(H)pyrazol4yl)butanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)N(1Hpyrazol4yl)butanamide
127253352
CSCC(C@@H)(C(=O)Nc1c(nH)nc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC29H35N5O6Sc116(35)322186171225(382)27(393)28(404)26(17)197922(24(36)1320(19)21)3423(1011415)29(37)33181430311518h7912152123H681011H215H3(H3031)(H3235)(H3337)(H3436)t2123m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N1Hpyrazol4ylLmethioninamide
ZINC000604404948
ZINC604404948
Check stock
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Check stock on Vitas-MAvailable files
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