Vitas-M small molecule compound
4-(3-chlorophenyl)-N-[(2S)-1-{[(2Z)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]amino}-1-oxopropan-2-yl]piperazine-1-carboxamide
Catalog ID
STK931294
SMILES COCc1n[nH]/c(=N/C(=O)[C@@H](NC(=O)N2CCN(CC2)c2cccc(c2)Cl)C)/s1
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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 C18H23ClN6O3S MW 438.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23ClN6O3S/c1-12(16(26)21-17-23-22-15(29-17)11-28-2)20-18(27)25-8-6-24(7-9-25)14-5-3-4-13(19)10-14/h3-5,10,12H,6-9,11H2,1-2H3,(H,20,27)(H,21,23,26)/t12-/m0/s1InChIKey
IXTXHASZIYODEK-LBPRGKRZSA-NSynonyms
1246062-05-41246062054
4(3chlorophenyl)N((2S)1(((2Z)5(methoxymethyl)134thiadiazol2(3H)ylidene)amino)1oxopropan2yl)piperazine1carboxamide
4(3chlorophenyl)N((2S)1((5(methoxymethyl)134thiadiazol2yl)amino)1oxopropan2yl)piperazine1carboxamide
CC(C(=O)NC1=NN=C(S1)COC)NC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl
COCc1n(nH)c(=NC(=O)(C@@H)(NC(=O)N2CCN(CC2)c2cccc(c2)Cl)C)s1
InChI=1SC18H23ClN6O3Sc112(16(26)2117232215(2917)11282)2018(27)258624(7925)1453413(19)1014h351012H6911H212H3(H2027)(H212326)t12m0s1
MFCD18176901
ZINC000044891854
ZINC44891854
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