Vitas-M small molecule compound
(Z)-N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2(3H)-ylidene]-L-methioninamide
Catalog ID
STL550504
SMILES CSCC[C@@H](C(=O)/N=c/1\scc([nH]1)CC(=O)N)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 C31H37N5O7S2 MW 655.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N5O7S2/c1-16(37)33-21-8-6-17-12-25(41-2)28(42-3)29(43-4)27(17)19-7-9-22(24(38)14-20(19)21)35-23(10-11-44-5)30(40)36-31-34-18(15-45-31)13-26(32)39/h7,9,12,14-15,21,23H,6,8,10-11,13H2,1-5H3,(H2,32,39)(H,33,37)(H,35,38)(H,34,36,40)/t21-,23-/m0InChIKey
QOEITKUYVDFLIP-GMAHTHKFSA-NSynonyms
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4(2amino2oxoethyl)13thiazol2yl)4methylsulfanylbutanamide
(Z)N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4(2amino2oxoethyl)13thiazol2(3H)ylidene)Lmethioninamide
127252738
InChI=1SC31H37N5O7S2c116(37)332186171225(412)28(423)29(434)27(17)197922(24(38)1420(19)21)3523(1011445)30(40)36313418(154531)1326(32)39h791214152123H68101113H215H3(H23239)(H3337)(H3538)(H343640)t2123m0s1
ZINC000604405302
ZINC604405302
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