Vitas-M small molecule compound
ethyl 2-[({2-[2-(4-methyl-2-nitrophenoxy)propanoyl]hydrazinyl}carbonothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK456142
SMILES CCOC(=O)c1c(NC(=S)NNC(=O)C(Oc2ccc(cc2[N+](=O)[O-])C)C)sc2c1CCCCC2
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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 C23H28N4O6S2 MW 520.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O6S2/c1-4-32-22(29)19-15-8-6-5-7-9-18(15)35-21(19)24-23(34)26-25-20(28)14(3)33-17-11-10-13(2)12-16(17)27(30)31/h10-12,14H,4-9H2,1-3H3,(H,25,28)(H2,24,26,34)InChIKey
OTUJCISGTNWTFR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NNC(=O)C(C)OC3=C(C=C(C=C3)C)(N+)(=O)(O)
CCOC(=O)c1c(NC(=S)NNC(=O)C(Oc2ccc(cc2(N+)(=O)(O))C)C)sc2c1CCCCC2
ethyl2(((2(2(4methyl2nitrophenoxy)propanoyl)hydrazinyl)carbonothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((2(4methyl2nitrophenoxy)propanoylamino)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC23H28N4O6S2c143222(29)19158657918(15)3521(19)2423(34)262520(28)14(3)3317111013(2)1216(17)27(30)31h101214H49H213H3(H2528)(H2242634)
MFCD05072838
ZINC000002851769
ZINC000002851770
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