Vitas-M small molecule compound
4-(7-hydroxy-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoic acid
Catalog ID
STK929033
SMILES OC1=Nc2[nH]nc(c2C(SC1)c1ccc(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 C14H13N3O3S MW 303.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N3O3S/c1-7-11-12(8-2-4-9(5-3-8)14(19)20)21-6-10(18)15-13(11)17-16-7/h2-5,12H,6H2,1H3,(H,19,20)(H2,15,16,17,18)InChIKey
AXXQHKNPESQZIY-UHFFFAOYSA-NSynonyms
1031987-48-01031987480
4(3methyl7oxo24dihydro1Hpyrazolo(34e)(14)thiazepin4yl)benzoicacid
4(7hydroxy3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin4yl)benzoicacid
CC1=C2C(SCC(=O)N=C2NN1)C3=CC=C(C=C3)C(=O)O
InChI=1SC14H13N3O3Sc171112(8249(538)14(19)20)21610(18)1513(11)17167h2512H6H21H3(H1920)(H215161718)
MFCD18176253
OC1=Nc2(nH)nc(c2C(SC1)c1ccc(cc1)C(=O)O)C
ZINC000021525133
ZINC000021525136
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