Vitas-M small molecule compound
methyl 2-{[7-(3,4-dichlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}propanoate
Catalog ID
STK583794
SMILES COC(=O)C(Sc1nnc2n1cnc1c2cnn1c1ccc(c(c1)Cl)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 C16H12Cl2N6O2S MW 423.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12Cl2N6O2S/c1-8(15(25)26-2)27-16-22-21-14-10-6-20-24(13(10)19-7-23(14)16)9-3-4-11(17)12(18)5-9/h3-8H,1-2H3InChIKey
AHRXSMPCEMECGE-UHFFFAOYSA-NSynonyms
844827-57-2844827572
CC(C(=O)OC)SC1=NN=C2N1C=NC3=C2C=NN3C4=CC(=C(C=C4)Cl)Cl
InChI=1SC16H12Cl2N6O2Sc18(15(25)262)27162221141062024(13(10)19723(14)16)93411(17)12(18)59h38H12H3
methyl2((7(34dichlorophenyl)7Hpyrazolo(43e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)propanoate
methyl2((7(34dichlorophenyl)7Hpyrazolo(43e)(124)triazolo(43c)pyrimidin3yl)thio)propanoate
MFCD04161458
ZINC000009488631
ZINC000013556926
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