Vitas-M small molecule compound
3-phenylpropyl 5-oxo-5-[({2-[(tetrahydrofuran-2-ylmethyl)carbamoyl]phenyl}carbamothioyl)amino]pentanoate
Catalog ID
STL065284
SMILES O=C(NC(=S)Nc1ccccc1C(=O)NCC1CCCO1)CCCC(=O)OCCCc1ccccc1
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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 C27H33N3O5S MW 511.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O5S/c31-24(15-6-16-25(32)35-18-7-11-20-9-2-1-3-10-20)30-27(36)29-23-14-5-4-13-22(23)26(33)28-19-21-12-8-17-34-21/h1-5,9-10,13-14,21H,6-8,11-12,15-19H2,(H,28,33)(H2,29,30,31,36)InChIKey
JESSXYUQSWDMOT-UHFFFAOYSA-NSynonyms
3phenylpropyl5oxo5(((2((tetrahydrofuran2ylmethyl)carbamoyl)phenyl)carbamothioyl)amino)pentanoate
3PHENYLPROPYL5OXO5((2(OXOLAN2YLMETHYLCARBAMOYL)PHENYL)CARBAMOTHIOYLAMINO)PENTANOATE
C1CC(OC1)CNC(=O)C2=CC=CC=C2NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3
InChI=1SC27H33N3O5Sc3124(1561625(32)35187112092131020)3027(36)292314541322(23)26(33)281921128173421h15910131421H6811121519H2(H2833)(H229303136)
MFCD07083717
ZINC000012137366
ZINC000012137367
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