Vitas-M small molecule compound
4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)-7-hydroxy-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-1-yl]benzoic acid
Catalog ID
STL250016
SMILES OC1=Nc2c(C(SC1)c1cn(nc1C)C)c(nn2c1ccc(cc1)C(=O)O)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 C19H19N5O3S MW 397.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N5O3S/c1-10-14(8-23(3)21-10)17-16-11(2)22-24(18(16)20-15(25)9-28-17)13-6-4-12(5-7-13)19(26)27/h4-8,17H,9H2,1-3H3,(H,20,25)(H,26,27)InChIKey
QBFFZWJZBQRLSH-UHFFFAOYSA-NSynonyms
1401579-85-81401579858
4(4(13dimethyl1Hpyrazol4yl)7hydroxy3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin1yl)benzoicacid
MFCD24852230
ZINC000079473275
ZINC000079473282
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