Vitas-M small molecule compound
3-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STK943249
SMILES OC1=Nc2[nH]nc(c2C(SC1)c1cc2OCOc2cc1[N+](=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 C14H12N4O5S MW 348.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N4O5S/c1-6-12-13(24-4-11(19)15-14(12)17-16-6)7-2-9-10(23-5-22-9)3-8(7)18(20)21/h2-3,13H,4-5H2,1H3,(H2,15,16,17,19)InChIKey
CLKHQVNFIKSSIB-UHFFFAOYSA-NSynonyms
1224129-25-21224129252
3methyl4(6nitro13benzodioxol5yl)24dihydro1Hpyrazolo(34e)(14)thiazepin7one
3methyl4(6nitro13benzodioxol5yl)46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
CC1=C2C(SCC(=O)N=C2NN1)C3=CC4=C(C=C3(N+)(=O)(O))OCO4
InChI=1SC14H12N4O5Sc161213(24411(19)1514(12)17166)72910(235229)38(7)18(20)21h2313H45H21H3(H215161719)
MFCD18180342
OC1=Nc2(nH)nc(c2C(SC1)c1cc2OCOc2cc1(N+)(=O)(O))C
ZINC000044921972
ZINC000044921975
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