Vitas-M small molecule compound

methyl 2-[({4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK315178
SMILES COC(=O)c1c(NC(=O)c2noc(c2Cn2nc(c(c2C)[N+](=O)[O-])C)C)sc2c1CCCC2

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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 C21H23N5O6S MW 473.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O6S/c1-10-18(26(29)30)11(2)25(23-10)9-14-12(3)32-24-17(14)19(27)22-20-16(21(28)31-4)13-7-5-6-8-15(13)33-20/h5-9H2,1-4H3,(H,22,27)
InChIKey
QOYWPSKOQVNNKX-UHFFFAOYSA-N
Synonyms
1006997-33-6
1006997336
CC1=C(C(=NN1CC2=C(ON=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)C)C)(N+)(=O)(O)
COC(=O)c1c(NC(=O)c2noc(c2Cn2nc(c(c2C)(N+)(=O)(O))C)C)sc2c1CCCC2
InChI=1SC21H23N5O6Sc11018(26(29)30)11(2)25(2310)91412(3)322417(14)19(27)222016(21(28)314)13756815(13)3320h59H214H3(H2227)
methyl2(((4((35dimethyl4nitro1Hpyrazol1yl)methyl)5methyl12oxazol3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((4((35dimethyl4nitropyrazol1yl)methyl)5methyl12oxazole3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD08554511
ZINC000013961445
ZINC13961445

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Available files

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