Vitas-M small molecule compound
N-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-{[3-(5-methyl-2H-tetrazol-2-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]carbonyl}hydrazinecarbothioamide
Catalog ID
STL399881
SMILES CCn1ncc(c1C)NC(=S)NNC(=O)C12CC3CC(C1)CC(C2)(C3)n1nnc(n1)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 C20H29N9OS MW 443.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29N9OS/c1-4-28-12(2)16(10-21-28)22-18(31)25-24-17(30)19-6-14-5-15(7-19)9-20(8-14,11-19)29-26-13(3)23-27-29/h10,14-15H,4-9,11H2,1-3H3,(H,24,30)(H2,22,25,31)InChIKey
GDOAMCVOLNCLHT-UHFFFAOYSA-NSynonyms
1005696-00-31(1ETHYL5METHYLPYRAZOL4YL)3((3(5METHYLTETRAZOL2YL)ADAMANTANE1CARBONYL)AMINO)THIOUREA
1005696003
CCN1C(=C(C=N1)NC(=S)NNC(=O)C23CC4CC(C2)CC(C4)(C3)N5N=C(N=N5)C)C
InChI=1SC20H29N9OSc142812(2)16(102128)2218(31)252417(30)19614515(719)920(8141119)292613(3)232729h101415H4911H213H3(H2430)(H2222531)
N(1ethyl5methyl1Hpyrazol4yl)2((3(5methyl2Htetrazol2yl)tricyclo(3311~37~)dec1yl)carbonyl)hydrazinecarbothioamide
ZINC000002802832
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