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-isoleucinamide
Catalog ID
STL550027
SMILES CC[C@H]([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)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 C32H39N5O7S MW 637.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H39N5O7S/c1-7-16(2)28(31(41)37-32-35-19(15-45-32)13-26(33)40)36-23-11-9-20-21(14-24(23)39)22(34-17(3)38)10-8-18-12-25(42-4)29(43-5)30(44-6)27(18)20/h9,11-12,14-16,22,28H,7-8,10,13H2,1-6H3,(H2,33,40)(H,34,38)(H,36,39)(H,35,37,41)/t16-,22+,28+/mInChIKey
LEOZRPADIDTIEG-XLMXUNNDSA-NSynonyms
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4(2amino2oxoethyl)13thiazol2yl)3methylpentanamide
(Z)N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4(2amino2oxoethyl)13thiazol2(3H)ylidene)Lisoleucinamide
127252852
InChI=1SC32H39N5O7Sc1716(2)28(31(41)37323519(154532)1326(33)40)36231192021(1424(23)39)22(3417(3)38)108181225(424)29(435)30(446)27(18)20h9111214162228H781013H216H3(H23340)(H3438)(H3639)(H353741)t1622+28+m1s1
ZINC000604404792
ZINC604404792
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