Vitas-M small molecule compound
N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide
Catalog ID
STL407717
SMILES COCc1n[nH]/c(=N\C(=O)c2[nH]nc3c2CCCCC3)/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 C13H17N5O2S MW 307.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N5O2S/c1-20-7-10-16-18-13(21-10)14-12(19)11-8-5-3-2-4-6-9(8)15-17-11/h2-7H2,1H3,(H,15,17)(H,14,18,19)InChIKey
CHQSRZYFPFPCPM-UHFFFAOYSA-NSynonyms
1574530-95-21574530952
COCC1=NN=C(S1)NC(=O)C2=NNC3=C2CCCCC3
COCc1n(nH)c(=NC(=O)c2(nH)nc3c2CCCCC3)s1
InChI=1SC13H17N5O2Sc120710161813(2110)1412(19)118532469(8)151711h27H21H3(H1517)(H141819)
MFCD30704875
N((2E)5(methoxymethyl)134thiadiazol2(3H)ylidene)245678hexahydrocyclohepta(c)pyrazole3carboxamide
ZINC000096231260
ZINC96231260
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