Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl (1-{[(2E)-3-(naphthalen-1-yl)prop-2-enoyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
Catalog ID
STL069209
SMILES O=C(CC1C(=O)NCCN1C(=S)NC(=O)/C=C/c1cccc2c1cccc2)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 C25H27N3O5S MW 481.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O5S/c29-22(11-10-18-7-3-6-17-5-1-2-9-20(17)18)27-25(34)28-13-12-26-24(31)21(28)15-23(30)33-16-19-8-4-14-32-19/h1-3,5-7,9-11,19,21H,4,8,12-16H2,(H,26,31)(H,27,29,34)/b11-10+InChIKey
SJUOGYOTFJHILB-ZHACJKMWSA-NSynonyms
C1CC(OC1)COC(=O)CC2C(=O)NCCN2C(=S)NC(=O)C=CC3=CC=CC4=CC=CC=C43
InChI=1SC25H27N3O5Sc2922(11101873617512920(17)18)2725(34)2813122624(31)21(28)1523(30)33161984143219h13579111921H481216H2(H2631)(H272934)b1110+
MFCD05877236
O=C(CC1C(=O)NCCN1C(=S)NC(=O)C=Cc1cccc2c1cccc2)OCC1CCCO1
OXOLAN2YLMETHYL2(1(((2E)3NAPHTHYLPROP2ENOYLAMINO)THIOXOMETHYL)3OXOPIPERAZIN2YL)ACETATE
OXOLAN2YLMETHYL2(1(((E)3NAPHTHALEN1YLPROP2ENOYL)CARBAMOTHIOYL)3OXOPIPERAZIN2YL)ACETATE
tetrahydrofuran2ylmethyl(1(((2E)3(naphthalen1yl)prop2enoyl)carbamothioyl)3oxopiperazin2yl)acetate
ZINC000012136965
ZINC000012136968
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