Vitas-M small molecule compound
7-hydroxy-4-(3-phenoxyphenyl)-1-(propan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL316813
SMILES OC1=Nc2c(C(SC1)c1cccc(c1)Oc1ccccc1)c(=O)[nH]n2C(C)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 C21H21N3O3S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3S/c1-13(2)24-20-18(21(26)23-24)19(28-12-17(25)22-20)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-11,13,19H,12H2,1-2H3,(H,22,25)(H,23,26)InChIKey
LPFRUYWPNLPEGQ-UHFFFAOYSA-NSynonyms
1435984-29-41435984294
4(3phenoxyphenyl)1propan2yl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4(3phenoxyphenyl)1(propan2yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC(C)N1C2=C(C(SCC(=O)N2)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N1
InChI=1SC21H21N3O3Sc113(2)242018(21(26)2324)19(281217(25)2220)14761016(1114)27158435915h3111319H12H212H3(H2225)(H2326)
MFCD28028033
OC1=Nc2c(C(SC1)c1cccc(c1)Oc1ccccc1)c(=O)(nH)n2C(C)C
ZINC000095478044
ZINC000095478045
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