Vitas-M small molecule compound
N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide
Catalog ID
STK545092
SMILES N#Cc1c(NC(=S)NC(=O)c2cc(OC)c(c(c2)OC)OC)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 C21H23N3O4S2 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S2/c1-26-15-9-12(10-16(27-2)18(15)28-3)19(25)23-21(29)24-20-14(11-22)13-7-5-4-6-8-17(13)30-20/h9-10H,4-8H2,1-3H3,(H2,23,24,25,29)InChIKey
SUQVBOKBKLZOSC-UHFFFAOYSA-NSynonyms
477496-91-6477496916
COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C#N
InChI=1SC21H23N3O4S2c12615912(1016(272)18(15)283)19(25)2321(29)242014(1122)137546817(13)3020h910H48H213H3(H223242529)
MFCD03679043
N((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamothioyl)345trimethoxybenzamide
ZINC000002225154
ZINC02225154
ZINC2225154
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