Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl (3-oxo-1-{[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}piperazin-2-yl)acetate
Catalog ID
STL069221
SMILES O=C(CC1C(=O)NCCN1C(=S)NC(=O)/C=C/c1cccs1)OCC1CCCO1
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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 C19H23N3O5S2 MW 437.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O5S2/c23-16(6-5-14-4-2-10-29-14)21-19(28)22-8-7-20-18(25)15(22)11-17(24)27-12-13-3-1-9-26-13/h2,4-6,10,13,15H,1,3,7-9,11-12H2,(H,20,25)(H,21,23,28)/b6-5+InChIKey
FFXBJRVYLWZDFZ-AATRIKPKSA-NSynonyms
C1CC(OC1)COC(=O)CC2C(=O)NCCN2C(=S)NC(=O)C=CC3=CC=CS3
InChI=1SC19H23N3O5S2c2316(651442102914)2119(28)22872018(25)15(22)1117(24)2712133192613h246101315H13791112H2(H2025)(H212328)b65+
MFCD05877257
O=C(CC1C(=O)NCCN1C(=S)NC(=O)C=Cc1cccs1)OCC1CCCO1
OXOLAN2YLMETHYL2(3OXO1(((E)3THIOPHEN2YLPROP2ENOYL)CARBAMOTHIOYL)PIPERAZIN2YL)ACETATE
tetrahydrofuran2ylmethyl(3oxo1(((2E)3(thiophen2yl)prop2enoyl)carbamothioyl)piperazin2yl)acetate
ZINC000012136988
ZINC000012136991
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