Vitas-M small molecule compound
N'-[(Z)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene}methyl]-2-hydroxybenzohydrazide
Catalog ID
STL055263
SMILES O=C1N=C(S)N(C(=O)/C/1=C\NNC(=O)c1ccccc1O)CCC1=CCCCC1
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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 C20H22N4O4S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S/c25-16-9-5-4-8-14(16)18(27)23-21-12-15-17(26)22-20(29)24(19(15)28)11-10-13-6-2-1-3-7-13/h4-6,8-9,12,21,25H,1-3,7,10-11H2,(H,23,27)(H,22,26,29)/b15-12-InChIKey
NWTLLXVSRUYDFQ-QINSGFPZSA-NSynonyms
C1CCC(=CC1)CCN2C(=O)C(=CNNC(=O)C3=CC=CC=C3O)C(=O)NC2=S
InChI=1SC20H22N4O4Sc2516954814(16)18(27)2321121517(26)2220(29)24(19(15)28)1110136213713h4689122125H1371011H2(H2327)(H222629)b1512
MFCD05729984
N((Z)(1(2(cyclohex1en1yl)ethyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)2hydroxybenzohydrazide
N((Z)(1(2(CYCLOHEXEN1YL)ETHYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2HYDROXYBENZOHYDRAZIDE
O=C1N=C(S)N(C(=O)C1=CNNC(=O)c1ccccc1O)CCC1=CCCCC1
ZINC000002385438
ZINC2385438
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