Vitas-M small molecule compound
4-[7-hydroxy-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-1-yl]benzoic acid
Catalog ID
STL312484
SMILES OC1=Nc2n(ncc2C(SC1)c1c(C)nn(c1C)C)c1ccc(cc1)C(=O)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 C19H19N5O3S MW 397.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N5O3S/c1-10-16(11(2)23(3)22-10)17-14-8-20-24(18(14)21-15(25)9-28-17)13-6-4-12(5-7-13)19(26)27/h4-8,17H,9H2,1-3H3,(H,21,25)(H,26,27)InChIKey
ZJNDDUVVEULFSP-UHFFFAOYSA-NSynonyms
1435908-50-11435908501
4(7hydroxy4(135trimethyl1Hpyrazol4yl)46dihydro1Hpyrazolo(34e)(14)thiazepin1yl)benzoicacid
MFCD28026683
ZINC000095474831
ZINC000095474832
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