Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl (1-{[(4-tert-butylphenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
Catalog ID
STL069214
SMILES O=C(CC1C(=O)NCCN1C(=S)NC(=O)c1ccc(cc1)C(C)(C)C)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 C23H31N3O5S MW 461.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N3O5S/c1-23(2,3)16-8-6-15(7-9-16)20(28)25-22(32)26-11-10-24-21(29)18(26)13-19(27)31-14-17-5-4-12-30-17/h6-9,17-18H,4-5,10-14H2,1-3H3,(H,24,29)(H,25,28,32)InChIKey
SJFHGFFQXQUCHZ-UHFFFAOYSA-NSynonyms
1042069-97-5(TETRAHYDROFURAN2YL)METHYL2(1((4(TERTBUTYL)BENZOYL)CARBAMOTHIOYL)3OXOPIPERAZIN2YL)ACETATE
1042069975
CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3CCCO3
InChI=1SC23H31N3O5Sc123(23)168615(7916)20(28)2522(32)2611102421(29)18(26)1319(27)31141754123017h691718H451014H213H3(H2429)(H252832)
MFCD05877249
OXOLAN2YLMETHYL2(1((4TERTBUTYLBENZOYL)CARBAMOTHIOYL)3OXOPIPERAZIN2YL)ACETATE
tetrahydrofuran2ylmethyl(1(((4tertbutylphenyl)carbonyl)carbamothioyl)3oxopiperazin2yl)acetate
ZINC000009910611
ZINC000009910628
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