Vitas-M small molecule compound

4-(7-chloro-1,3-benzodioxol-5-yl)-7-hydroxy-1-(propan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one

Catalog ID
STL316767
SMILES OC1=Nc2n([nH]c(=O)c2C(SC1)c1cc(Cl)c2c(c1)OCO2)C(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 C16H16ClN3O4S MW 381.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16ClN3O4S/c1-7(2)20-15-12(16(22)19-20)14(25-5-11(21)18-15)8-3-9(17)13-10(4-8)23-6-24-13/h3-4,7,14H,5-6H2,1-2H3,(H,18,21)(H,19,22)
InChIKey
ILWCJKOIZYPVES-UHFFFAOYSA-N
Synonyms
1435990-65-0
1435990650
4(7chloro13benzodioxol5yl)1propan2yl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
4(7chloro13benzodioxol5yl)7hydroxy1(propan2yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC(C)N1C2=C(C(SCC(=O)N2)C3=CC4=C(C(=C3)Cl)OCO4)C(=O)N1
InChI=1SC16H16ClN3O4Sc17(2)201512(16(22)1920)14(25511(21)1815)839(17)1310(48)2362413h34714H56H212H3(H1821)(H1922)
MFCD28028007
OC1=Nc2n((nH)c(=O)c2C(SC1)c1cc(Cl)c2c(c1)OCO2)C(C)C
ZINC000095478006
ZINC000095478007

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Available files

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