Vitas-M small molecule compound
1-[(1Z)-2-(4-butyl-2-methyl-5-oxotetrahydrofuran-2-yl)prop-1-en-1-yl]thiourea
Catalog ID
STK532136
SMILES CC1(CC(C(=O)O1)CCCC)/C(=C\NC(=S)N)/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 C13H22N2O2S MW 270.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H22N2O2S/c1-4-5-6-10-7-13(3,17-11(10)16)9(2)8-15-12(14)18/h8,10H,4-7H2,1-3H3,(H3,14,15,18)/b9-8-InChIKey
LWOGBOODSSBHAP-HJWRWDBZSA-NSynonyms
((Z)2(4butyl2methyl5oxooxolan2yl)prop1enyl)thiourea
(Z)1(2(4butyl2methyl5oxotetrahydrofuran2yl)prop1en1yl)thiourea
1((1Z)2(4butyl2methyl5oxotetrahydrofuran2yl)prop1en1yl)thiourea
CC1(CC(C(=O)O1)CCCC)C(=CNC(=S)N)C
CCCCC1CC(OC1=O)(C)C(=CNC(=S)N)C
InChI=1SC13H22N2O2Sc145610713(31711(10)16)9(2)81512(14)18h810H47H213H3(H3141518)b98
MFCD02855547
ZINC000004424525
ZINC000013785735
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