Vitas-M small molecule compound
ethyl 2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK456141
SMILES CCOC(=O)c1c(NC(=S)NNC(=O)C(n2cc(c(n2)OC)[N+](=O)[O-])C)sc2c1CCCCCC2
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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 C21H28N6O6S2 MW 524.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N6O6S2/c1-4-33-20(29)16-13-9-7-5-6-8-10-15(13)35-19(16)22-21(34)24-23-17(28)12(2)26-11-14(27(30)31)18(25-26)32-3/h11-12H,4-10H2,1-3H3,(H,23,28)(H2,22,24,34)InChIKey
NTPVSCDMSSTDRN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NNC(=O)C(C)N3C=C(C(=N3)OC)(N+)(=O)(O)
CCOC(=O)c1c(NC(=S)NNC(=O)C(n2cc(c(n2)OC)(N+)(=O)(O))C)sc2c1CCCCCC2
ethyl2(((2(2(3methoxy4nitro1Hpyrazol1yl)propanoyl)hydrazinyl)carbonothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2((2(3methoxy4nitropyrazol1yl)propanoylamino)carbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC21H28N6O6S2c143320(29)1613975681015(13)3519(16)2221(34)242317(28)12(2)261114(27(30)31)18(2526)323h1112H410H213H3(H2328)(H2222434)
MFCD05076160
ZINC000002855842
ZINC000002855843
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