Vitas-M small molecule compound
N-ethyl-4-[2-({(1Z)-1-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)ethyl]piperazine-1-carbothioamide
Catalog ID
STK207121
SMILES CCNC(=S)N1CCN(CC1)CCN/C(=C\1/C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C)/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 C21H29N7O3S MW 459.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N7O3S/c1-4-22-21(32)26-13-11-25(12-14-26)10-9-23-15(2)19-16(3)24-27(20(19)29)17-5-7-18(8-6-17)28(30)31/h5-8,23H,4,9-14H2,1-3H3,(H,22,32)/b19-15-InChIKey
HHPFTRPJZSFCLG-CYVLTUHYSA-NSynonyms
4(((2(4((ETHYLAMINO)THIOXOMETHYL)PIPERAZINYL)ETHYL)AMINO)ETHYLIDENE)3METHYL1(4NITROPHENYL)12DIAZOLIN5ONE
CCNC(=S)N1CCN(CC1)CCNC(=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))C)C
CCNC(=S)N1CCN(CC1)CCNC(=C2C(=NN(C2=O)C3=CC=C(C=C3)(N+)(=O)(O))C)C
InChI=1SC21H29N7O3Sc142221(32)26131125(121426)1092315(2)1916(3)2427(20(19)29)175718(8617)28(30)31h5823H4914H213H3(H2232)b1915
MFCD06191796
Nethyl4(2(((1Z)1(3methyl1(4nitrophenyl)5oxo15dihydro4Hpyrazol4ylidene)ethyl)amino)ethyl)piperazine1carbothioamide
Nethyl4(2(((1Z)1(3methyl1(4nitrophenyl)5oxopyrazol4ylidene)ethyl)amino)ethyl)piperazine1carbothioamide
ZINC000019899357
ZINC19899357
Check stock
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