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-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-L-methioninamide
Catalog ID
STL550219
SMILES CSCC[C@@H](C(=O)Nc1ccc2c(c1)OCC(=O)N2)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 C34H38N4O8S MW 662.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N4O8S/c1-18(39)35-23-9-6-19-14-29(43-2)32(44-3)33(45-4)31(19)21-8-11-24(27(40)16-22(21)23)37-26(12-13-47-5)34(42)36-20-7-10-25-28(15-20)46-17-30(41)38-25/h7-8,10-11,14-16,23,26H,6,9,12-13,17H2,1-5H3,(H,35,39)(H,36,42)(H,37,40)(H,38,41)/t23-InChIKey
GYEJJYUEUQXUIZ-OZXSUGGESA-NSynonyms
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)(3oxo4~(H)14benzoxazin7yl)butanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)N(3oxo34dihydro2Hbenzo(b)(14)oxazin7yl)butanamide
127253832
CSCC(C@@H)(C(=O)Nc1ccc2c(c1)OCC(=O)N2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC34H38N4O8Sc118(39)352396191429(432)32(443)33(454)31(19)2181124(27(40)1622(21)23)3726(1213475)34(42)36207102528(1520)461730(41)3825h78101114162326H69121317H215H3(H3539)(H3642)(H3740)(H3841)t2326m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3oxo34dihydro2H14benzoxazin7yl)Lmethioninamide
ZINC000604403975
ZINC604403975
Check stock
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Check stock on Vitas-MAvailable files
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