Vitas-M small molecule compound

6-(1,3-benzodioxol-5-yl)-3-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Catalog ID
STL041998
SMILES C1Oc2c(O1)ccc(c2)C1=Nn2c(SC1)nnc2c1[nH]nc2c1CCC2

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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 C17H14N6O2S MW 366.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N6O2S/c1-2-10-11(3-1)18-19-15(10)16-20-21-17-23(16)22-12(7-26-17)9-4-5-13-14(6-9)25-8-24-13/h4-6H,1-3,7-8H2,(H,18,19)
InChIKey
YEPKAFFSXHHTQM-UHFFFAOYSA-N
Synonyms
877804-83-6
6(13benzodioxol5yl)3(1456tetrahydrocyclopenta(c)pyrazol3yl)7H(124)triazolo(34b)(134)thiadiazine
6(13benzodioxol5yl)3(2456tetrahydrocyclopenta(c)pyrazol3yl)7H(124)triazolo(34b)(134)thiadiazine
6(2H13BENZODIOXOL5YL)3(1H4H5H6HCYCLOPENTA(C)PYRAZOL3YL)7H(124)TRIAZOLO(34B)(134)THIADIAZINE
6(benzo(d)(13)dioxol5yl)3(1456tetrahydrocyclopenta(c)pyrazol3yl)7H(124)triazolo(34b)(134)thiadiazine
877804836
C1CC2=C(C1)NN=C2C3=NN=C4N3N=C(CS4)C5=CC6=C(C=C5)OCO6
C1Oc2c(O1)ccc(c2)C1=Nn2c(SC1)nnc2c1(nH)nc2c1CCC2
C1Oc2c(O1)ccc(c2)C1=Nn2c(SC1)nnc2c1n(nH)c2c1CCC2
InChI=1SC17H14N6O2Sc121011(31)181915(10)1620211723(16)2212(72617)9451314(69)2582413h46H1378H2(H1819)
MFCD05737113
ZINC000005461681
ZINC05461681
ZINC5461681

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Available files

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