Vitas-M small molecule compound

ethyl (2Z)-2-({(Z)-N-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]isoleucyl}imino)-2,3-dihydro-1,3-thiazole-4-carboxylate

Catalog ID
STL542057
SMILES CCOC(=O)c1cs/c(=N\C(=O)C(C(CC)C)Nc2ccc3c(cc2=O)C(CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)/[nH]1

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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 C33H40N4O8S MW 652.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H40N4O8S/c1-8-17(3)28(31(40)37-33-36-24(16-46-33)32(41)45-9-2)35-23-13-11-20-21(15-25(23)39)22(34-18(4)38)12-10-19-14-26(42-5)29(43-6)30(44-7)27(19)20/h11,13-17,22,28H,8-10,12H2,1-7H3,(H,34,38)(H,35,39)(H,36,37,40)
InChIKey
XQUSDWVOYOCKGN-UHFFFAOYSA-N
Synonyms

75356710
ethyl(2Z)2(((Z)N(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)isoleucyl)imino)23dihydro13thiazole4carboxylate
ethyl2((2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanoyl)amino)13thiazole4carboxylate
InChI=1SC33H40N4O8Sc1817(3)28(31(40)37333624(164633)32(41)4592)352313112021(1525(23)39)22(3418(4)38)1210191426(425)29(436)30(447)27(19)20h1113172228H81012H217H3(H3438)(H3539)(H363740)
MFCD31755500
ZINC000206243380
ZINC000253370895

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Available files

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