Vitas-M small molecule compound

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

Catalog ID
STL542881
SMILES COC(=O)c1[nH]/c(=N/C(=O)C(Nc2ccc3c(cc2=O)C(CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)C)/sc1C(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 C32H38N4O8S MW 638.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38N4O8S/c1-15(2)29-26(31(40)44-8)35-32(45-29)36-30(39)16(3)33-22-12-10-19-20(14-23(22)38)21(34-17(4)37)11-9-18-13-24(41-5)27(42-6)28(43-7)25(18)19/h10,12-16,21H,9,11H2,1-8H3,(H,33,38)(H,34,37)(H,35,36,39)
InChIKey
SPCYCXYTPMWFRD-UHFFFAOYSA-N
Synonyms
methyl(2Z)2(((Z)N(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)alanyl)imino)5(propan2yl)23dihydro13thiazole4carboxylate
methyl2(2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)propanoylamino)5propan2yl13thiazole4carboxylate
Registry IDs
MFCD31755729
ZINC000217867313
ZINC000252550520

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.