Vitas-M small molecule compound
[1-({[(Z)-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)methyl]amino}methyl)cyclohexyl]acetic acid
Catalog ID
STK603214
SMILES SC1=NC(=O)/C(=C\NCC2(CCCCC2)CC(=O)O)/C(=N1)O
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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 C14H19N3O4S MW 325.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19N3O4S/c18-10(19)6-14(4-2-1-3-5-14)8-15-7-9-11(20)16-13(22)17-12(9)21/h7,15H,1-6,8H2,(H,18,19)(H2,16,17,20,21,22)InChIKey
AQZPCLSWZXVKDR-UHFFFAOYSA-NSynonyms
(1((((Z)(6hydroxy4oxo2sulfanylpyrimidin5(4H)ylidene)methyl)amino)methyl)cyclohexyl)aceticacid
2(1(((46dioxo2sulfanylidene13diazinan5ylidene)methylamino)methyl)cyclohexyl)aceticacid
C1CCC(CC1)(CC(=O)O)CNC=C2C(=O)NC(=S)NC2=O
InChI=1SC14H19N3O4Sc1810(19)614(4213514)8157911(20)1613(22)1712(9)21h715H168H2(H1819)(H21617202122)
MFCD08731637
SC1=NC(=O)C(=CNCC2(CCCCC2)CC(=O)O)C(=N1)O
ZINC000095346294
ZINC95346294
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