Vitas-M small molecule compound
methyl 2-{[8-(4-chlorophenyl)-2,3,4,8-tetrahydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-6-yl]sulfanyl}propanoate
Catalog ID
STK640911
SMILES COC(=O)C(Sc1nc2n(ncc2c2=NCCCn12)c1ccc(cc1)Cl)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 C18H18ClN5O2S MW 403.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClN5O2S/c1-11(17(25)26-2)27-18-22-16-14(15-20-8-3-9-23(15)18)10-21-24(16)13-6-4-12(19)5-7-13/h4-7,10-11H,3,8-9H2,1-2H3InChIKey
RFCJWLQBOJNHHZ-UHFFFAOYSA-NSynonyms
1010906-70-31010906703
CC(C(=O)OC)SC1=NC2=C(C=NN2C3=CC=C(C=C3)Cl)C4=NCCCN41
InChI=1SC18H18ClN5O2Sc111(17(25)262)2718221614(152083923(15)18)102124(16)136412(19)5713h471011H389H212H3
methyl2((8(4chlorophenyl)2348tetrahydropyrazolo(43e)pyrimido(12c)pyrimidin6yl)sulfanyl)propanoate
methyl2((8(4chlorophenyl)2348tetrahydropyrazolo(43e)pyrimido(12c)pyrimidin6yl)thio)propanoate
MFCD12201423
ZINC000012389753
ZINC000012389754
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